cid stringlengths 3 9 | cmpdname stringlengths 4 320 | cmpdsynonym stringlengths 3 10k ⌀ | mw stringlengths 7 8 | mf stringlengths 2 18 | polararea stringlengths 5 8 | complexity stringlengths 5 9 | xlogp stringclasses 202
values | heavycnt stringclasses 120
values | hbonddonor stringclasses 35
values | hbondacc stringclasses 46
values | rotbonds stringclasses 66
values | inchi stringlengths 11 2.96k | isosmiles stringlengths 4 1.09k | canonicalsmiles stringlengths 4 836 | inchikey stringlengths 27 27 | iupacname stringlengths 4 1.38k ⌀ | exactmass stringlengths 3 7 | monoisotopicmass stringlengths 3 7 | charge stringclasses 13
values | covalentunitcnt stringclasses 13
values | isotopeatomcnt stringclasses 6
values | totalatomstereocnt stringclasses 32
values | definedatomstereocnt stringclasses 33
values | undefinedatomstereocnt stringclasses 18
values | totalbondstereocnt stringclasses 10
values | definedbondstereocnt stringclasses 10
values | undefinedbondstereocnt stringclasses 6
values | pclidcnt stringlengths 1 6 | gpidcnt stringlengths 1 6 | gpfamilycnt stringlengths 1 6 | neighbortype stringclasses 3
values | meshheadings stringclasses 378
values | annothits stringlengths 7 466 ⌀ | annothitcnt stringclasses 21
values | aids stringlengths 3 10k ⌀ | cidcdate stringclasses 428
values | sidsrcname stringlengths 4 7.06k | depcatg stringclasses 80
values | annotation stringlengths 39 2.45k ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
64927 | Chloroquine Phosphate | Chloroquine diphosphate|Chloroquine phosphate|50-63-5|Resochin|Arechin|Aralen phosphate|Chloroquine diphosphate salt|Avloclor|Tanakan|Quingamine|Delagil|Miniquine|Tanakene|Chloroquine bis(phosphate)|Chlorochin diphosphate|Chloroquine (phosphate)|Chingamin phosphate|dl-Chloroquine diphosphate|Khingamin|Ipsen 225|N4-(7-c... | 515.900 | C18H32ClN3O8P2 | 184.000 | 359.000 | null | 32 | 7 | 11 | 8 | InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4) | CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O | CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O | QKICWELGRMTQCR-UHFFFAOYSA-N | 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid | 515.135 | 515.135 | 0 | 3 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1331 | 3519 | 1053 | 2D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 17 | 377|422|429|436|547|694|732|875|880|881|884|885|887|889|892|893|894|900|902|910|923|924|927|930|940|995|1030|1379|1422|1452|1454|1457|1458|1459|1460|1461|1463|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1519|1580|1581|1582|1583|1584|1585|1586|1587|1588|1589|1590|1593|1594|1595|1596|1597|1598|1599|1600|1601|1602|1... | 20050624 | 001Chemical|3B Scientific (Wuhan) Corp|3WAY PHARM INC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Accela ChemBio Inc.|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AKos Consulting & Solutions|Alfa Chemistry|Alinda Chemical|Alsa... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent|D018501 - Antirheumatic Agents|D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics|D002491 - Central Nervous System Agents > D000700 - Analgesics|D018373 - Peripheral Nervous System Agents > D018... |
3793 | Sporanox | itraconazole|84625-61-6|Itrizole|Sporanox|Itraconazolum [Latin]|1217512-35-0|1-(Butan-2-yl)-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one|2049588-24-9|Canditral|Traconal|Triasporin|Candistat|Itralek|Orunga... | 705.600 | C35H38Cl2N8O4 | 101.000 | 1120.000 | 5.700 | 49 | 0 | 9 | 11 | InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3 | CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl | CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl | VHVPQPYKVGDNFY-UHFFFAOYSA-N | 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one | 704.239 | 704.239 | 0 | 1 | 0 | 3 | 0 | 3 | 0 | 0 | 0 | 6604 | 189 | 74 | 2D+3D | Itraconazole | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Tes... | 17 | 1|3|5|7|9|13|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|65|67|71|73|77|79|81|83|85|89|91|93|95|97|99|101|103|105|107|109|113|119|121|123|129|131|133|137|139|141|143|145|357|361|364|368|371|373|374|375|411|422|425|429|430|431|432|436|438|440|441|444|446|449|450|454|455|456|457|460|483|485|487|488|501|518|5... | 20050325 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A2B Chem|AA BLOCKS|AbaChemScene|ABI Chem|Acadechem|Accela ChemBio Inc.|Achemo Scientific Limited|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Ambinter|Angene Chemical|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AC - Triazole and tetrazole derivatives|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors|D004791 - Enzyme Inhibit... |
1091 | Selenious Acid | SELENIOUS ACID|Selenous acid|7783-00-8|Monohydrated selenium dioxide|Selenium dioxide, monohydrated|Selenious acid (H2SeO3)|CCRIS 5530|selenige Saeure|HSDB 6065|EINECS 231-974-7|UNII-F6A27P4Q4R|UN-3283|F6A27P4Q4R|DTXSID9024300|CHEBI:26642|dihydroxidooxidoselenium|Selenious acid (USP)|Selenious acid [USP]|UN 3283|Seleni... | 128.990 | H2O3Se | 57.500 | 26.300 | null | 4 | 2 | 3 | 0 | InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3) | O[Se](=O)O | O[Se](=O)O | MCAHWIHFGHIESP-UHFFFAOYSA-N | selenous acid | 129.917 | 129.917 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2427 | 6619 | 3675 | 2D | Selenious Acid | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological T... | 17 | 651631|651632|651633|651634|720516|720552|720634|720635|720637|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720719|720725|743012|743014|743015|743033|743035|743036|743040|743041|743042|743053|743054|743063|743064|743065|743066|743067|743069|743074|743075|74307... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|abcr GmbH|ABI Chem|Acadechem|Achemica|Achemtek|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Amadis Chemical|Ambinter|Angene Chemical|Aurora Fine Chemicals LLC|Avantor Inc... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D018977 - Micronutrients > D014131 - Trace Elements|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials |
3083544 | Arformoterol | Arformoterol|(R,R)-Formoterol|formoterol|67346-49-0|(-)-Formoterol|Oxis|73573-87-2|Arformoterol [INN]|eformoterol|UNII-F91H02EBWT|F91H02EBWT|Atimos|Formoterol r,r-form|Arformoterol (INN)|N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide|CHEBI:408174|Foradil|5ZZ84GCW8B|C... | 344.400 | C19H24N2O4 | 90.800 | 388.000 | 1.800 | 25 | 4 | 5 | 8 | InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1 | C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=CC(=C(C=C2)O)NC=O)O | CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O | BPZSYCZIITTYBL-YJYMSZOUSA-N | N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide | 344.174 | 344.174 | 0 | 1 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 5125 | 40367 | 7537 | 2D+3D | Formoterol Fumarate | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 17 | 1195|1060997|1060999|1159387|1159389|1159390|1159391|1159394|1159396|1346250|1346260|1589638|1589639|1589640|1760528|1760529 | 20050808 | 10X CHEM|1st Scientific|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Adooq BioScience|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Allbio Pharm Co., Ltd|Alsachim|Amadis Chemical|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents|C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist|R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - S... |
6076 | Adenosine cyclic phosphate | Cyclic AMP|cAMP|60-92-4|Adenosine 3',5'-cyclic monophosphate|3',5'-cyclic AMP|Adenosine 3',5'-cyclophosphate|Adenosine 3',5'-phosphate|cyclic 3',5'-AMP|Adenosine cyclic monophosphate|Cyclic Adenosine Monophosphate|cyclic 3',5'-Adenylic acid|Adenosine 3',5'-monophosphate|Adenosine-3',5'-cyclophosphate|cyclic Adenosine 3... | 329.210 | C10H12N5O6P | 155.000 | 498.000 | -2.600 | 22 | 3 | 10 | 1 | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O | C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O | IVOMOUWHDPKRLL-KQYNXXCUSA-N | (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol | 329.053 | 329.053 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 72899 | 138319 | 37841 | 2D+3D | Cyclic AMP | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biolo... | 17 | 422|429|436|547|694|732|880|894|940|1030|1379|1422|1454|1457|1458|1459|1460|1461|1463|1467|1468|1469|1476|1477|1478|1479|1487|1519|1705|1707|1708|1766|1768|1815|1816|1828|1865|1876|1877|1882|1883|1886|1948|1967|2101|2107|2112|2147|2323|2326|2353|2364|2451|2517|2528|2549|2660|2662|2666|2667|2668|2675|2732|2774|33710|840... | 20050608 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Achemtek|Acmec Biochemical|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank |
6022 | Adenosine-5'-diphosphate | Adenosine 5'-diphosphate|Adenosine diphosphate|58-64-0|adenosine-5'-diphosphate|ADP|Adenosine 5'-(trihydrogen diphosphate)|adenosine pyrophosphate|5'-Adp|adenosine 5'-pyrophosphate|ADP (nucleotide)|5'-Adenylphosphoric acid|Adenosindiphosphorsaeure|Adenosine 5'-pyrophosphoric acid|Adenosine-5'-diphosphat|Adenosine 5'-di... | 427.200 | C10H15N5O10P2 | 233.000 | 638.000 | -4.600 | 27 | 6 | 14 | 6 | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N | XTWYTFMLZFPYCI-KQYNXXCUSA-N | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate | 427.029 | 427.029 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 35652 | 48995 | 15741 | 2D+3D | Adenosine Diphosphate | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 17 | 880|1030|1457|1458|1460|1463|1468|1469|1471|1477|1479|1490|1811|1865|2101|2107|2112|2517|2549|54140|70544|77349|77352|77360|88903|90064|91204|91216|91555|91556|91557|91558|146705|150151|150166|150170|150172|150321|150470|150495|152476|152489|155650|155653|162978|162984|162985|162990|162991|163119|167868|167870|167875|1... | 20040916 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AE... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map, PDB, Protein Data Bank |
3410 | Formoterol | formoterol|73573-87-2|128954-45-0|Formoterolum [INN-Latin]|eformoterol|Oxeze/Oxis|n-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide|Formoterolum|Foradil|N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide|Innovair|Fluir|FORMOTEROL FUMARATE|CHEB... | 344.400 | C19H24N2O4 | 90.800 | 388.000 | 1.800 | 25 | 4 | 5 | 8 | InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22) | CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O | CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O | BPZSYCZIITTYBL-UHFFFAOYSA-N | N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide | 344.174 | 344.174 | 0 | 1 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 2033 | 659 | 208 | 2D+3D | Formoterol Fumarate | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 17 | 1471|1490|1688|1766|1768|2062|2528|2546|2551|2662|236903|238673|248534|251147|414891|414892|414893|414894|414895|414916|414917|414918|414919|415158|438906|438907|438908|438909|438910|447901|447902|447903|447904|447907|447908|447910|447911|447912|447913|481512|481513|481516|481517|481519|481520|481521|481523|481524|4815... | 20050325 | 10X CHEM|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Achemtek|Acmec Biochemical|ACT Chemical|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|AlchemyPharm|Alfa Chemistry|Alsachim|Ambinter|AN PharmaTech|Angel Pharmatech Ltd.|Angene Chemical|As... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents|C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist|R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - S... |
6917 | N-Vinyl-2-pyrrolidone | N-VINYL-2-PYRROLIDONE|88-12-0|1-vinylpyrrolidin-2-one|1-Vinyl-2-pyrrolidone|N-Vinylpyrrolidone|9003-39-8|1-Vinyl-2-pyrrolidinone|N-Vinyl-2-pyrrolidinone|Povidone|Vinylpyrrolidone|1-ethenylpyrrolidin-2-one|N-Vinylpyrrolidinone|2-Pyrrolidinone, 1-ethenyl-|25249-54-1|1-Vinylpyrrolidone|Pvpp|Vinylbutyrolactam|Vinylpyrrolid... | 111.140 | C6H9NO | 20.300 | 120.000 | 0.400 | 8 | 0 | 1 | 1 | InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2 | C=CN1CCCC1=O | C=CN1CCCC1=O | WHNWPMSKXPGLAX-UHFFFAOYSA-N | 1-ethenylpyrrolidin-2-one | 111.068 | 111.068 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5857 | 262916 | 90853 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral In... | 17 | 155|157|161|165|167|175|179|186|188|248|256|330|1189|1194|1205|1208|1469|1479|1490|1766|1768|2101|2107|2112|2314|2315|2451|2472|2517|2528|2546|2549|2551|485281|485290|504327|504370|504374|504375|504847|588579|602332|651631|651632|651633|651634|720516|720532|720533|720552|720634|720635|720637|720674|720675|720678|720679... | 20050326 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Achemica|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Adooq BioScience|AK Scientific, Inc. (AKSCI)|AKos Cons... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D001697 - Biomedical and Dental Materials > D001672 - Biocompatible Materials|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials |
6131 | 5'-Cytidylic acid | 5'-CYTIDYLIC ACID|63-37-6|Cytidine 5'-monophosphate|cytidylic acid|Cytidine monophosphate|Cytidine-5'-monophosphate|5'-CMP|cytidylate|Cytidine 5'-phosphate|CMP (nucleotide)|Cytidine 5'-phosphoric acid|Cytidine 5'-monophosphoric acid|((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)me... | 323.200 | C9H14N3O8P | 175.000 | 531.000 | -3.400 | 21 | 5 | 8 | 4 | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O | C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O | IERHLVCPSMICTF-XVFCMESISA-N | [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | 323.052 | 323.052 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 1717 | 45391 | 15454 | 2D+3D | Cytidine Monophosphate | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxon... | 17 | 38074|43713|74254|74259|98043|98676|99156|99187|101082|101083|146812|146814|146818|218818|218819|227718|229265|278934|278935|415022|469221|469222|469224|469225|469227|469228|469230|469231|707245|707246|707247 | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from WikiPathways |
92786 | Brexanolone | Allopregnanolone|516-54-1|Brexanolone|Allotetrahydroprogesterone|Allopregnan-3alpha-ol-20-one|SAGE-547|Zulresso|3alpha-hydroxy-5alpha-pregnan-20-one|3alpha-OH DHP|3alpha,5alpha-THP|5alpha-Pregnan-3alpha-ol-20-one|3-alpha,5-alpha-Pregnanolone|brexanolona|brexanolonum|3alpha-Hydroxy-5alpha-dihydroprogesterone|SGE-102|3a,... | 318.500 | C21H34O2 | 37.300 | 500.000 | 4.900 | 23 | 1 | 2 | 1 | InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1 | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C | AURFZBICLPNKBZ-SYBPFIFISA-N | 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone | 318.256 | 318.256 | 0 | 1 | 0 | 8 | 8 | 0 | 0 | 0 | 0 | 2331 | 1743 | 474 | 2D+3D | Pregnanolone | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxon... | 17 | 2240|2241|2275|2313|2322|2330|50906|52291|71697|71834|71841|71842|71982|71999|72140|72141|72142|72143|72151|72451|72453|114282|119225|167988|167989|167990|167991|187593|187594|188186|191308|196544|197261|197264|219787|219789|219900|219901|221372|226453|227352|233476|233477|233478|239779|242285|243126|243127|243128|2431... | 20040916 | 001Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Acmec Biochemical|Acorn PharmaTech Product List|AKos Consulting & Solutions|Alsachim|Ambinter|AN PharmaTech|ApexBio Technology|Apexmol|Aurora Fine Chemicals LLC|AvaChem Scie... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants|C78272 - Agent Affecting Nervous System|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltri... |
27924 | Phorbol 12-myristate 13-acetate | Phorbol 12-myristate 13-acetate|16561-29-8|phorbol-12-myristate-13-acetate|12-O-Tetradecanoylphorbol-13-acetate|12-O-Tetradecanoylphorbol 13-acetate|Tetradecanoylphorbol acetate|Phorbol ester|Factor A1|12-Tetradecanoylphorbol 13-acetate|Phorbol myristate acetate|phorbol 13-acetate 12-myristate|TPA|PMA|PMA (tumor promot... | 616.800 | C36H56O8 | 130.000 | 1150.000 | 6.500 | 44 | 3 | 8 | 17 | InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1 | CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C | CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C | PHEDXBVPIONUQT-RGYGYFBISA-N | [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate | 616.398 | 616.398 | 0 | 1 | 0 | 8 | 8 | 0 | 0 | 0 | 0 | 41017 | 31510 | 10139 | 2D | Tetradecanoylphorbol Acetate | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 17 | 179|328|880|881|894|940|999|1004|1030|1379|1422|1452|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1490|1766|1768|1865|1948|2101|2107|2112|2240|2241|2275|2313|2314|2315|2316|2322|2330|2451|2472|2517|2528|2546|2549|2551|80963|164825|164962|218662|218937|220518|220908|221443|221771|280058|280060|282117|282118|28... | 20050326 | 10X CHEM|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acorn PharmaTech Product List|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Ambeed|ApexBio Technology|AstaTech, Inc.|Aurora Fine Chemicals LLC|AvaChem Scientific|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer|D009676 - Noxae > D002273 - Carcinogens > D010703 - Phorbol Esters|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials |
439176 | 5'-Deoxy-5'-methylthioadenosine | Methylthioadenosine|2457-80-9|5'-methylthioadenosine|5'-S-methyl-5'-thioadenosine|5'-Deoxy-5'-(methylthio)adenosine|5-Methylthioadenosine|5'-DEOXY-5'-METHYLTHIOADENOSINE|Vitamin L2|ADENOSINE, 5'-S-METHYL-5'-THIO-|(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-((methylthio)methyl)tetrahydrofuran-3,4-diol|Thiomethyladenosine|... | 297.340 | C11H15N5O3S | 145.000 | 352.000 | -0.300 | 20 | 3 | 8 | 3 | InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O | CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O | WUUGFSXJNOTRMR-IOSLPCCCSA-N | (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol | 297.09 | 297.09 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 645 | 2410 | 817 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxon... | 17 | 31540|31541|32197|32198|32199|32638|32875|32876|33289|33290|33909|34158|34274|34423|34729|44035|50094|71601|91847|94272|97371|97373|97375|98358|98650|99499|99503|99505|99507|99509|99513|99526|99528|99529|100526|100643|100644|105643|105907|105909|199460|199461|199462|199463|199464|203872|203891|203892|203898|239738|2397... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alichem|Ambeed|Angel Pharmatech Ltd.|Anward|AstaTech, Inc.... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents|D004791 - Enzyme Inhibitors|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
2761171 | Ethionamide | ethionamide|536-33-4|2-ethylpyridine-4-carbothioamide|Ethioniamide|Trecator|Amidazine|Ethyonomide|Etionamid|Etioniamid|Ethylisothiamide|2-Ethylthioisonicotinamide|Ethinamide|Nizotin|Thioamide|Trecator-SC|4-Pyridinecarbothioamide, 2-ethyl-|Bayer 5312|Trescatyl|Ethimide|Aetina|Amidazin|Etiocidan|Etionizin|Etionizina|Etio... | 166.250 | C8H10N2S | 71.000 | 147.000 | 1.100 | 11 | 1 | 2 | 2 | InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) | CCC1=NC=CC(=C1)C(=S)N | CCC1=NC=CC(=C1)C(=S)N | AEOCXXJPGCBFJA-UHFFFAOYSA-N | 2-ethylpyridine-4-carbothioamide | 166.056 | 166.056 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3321 | 53762 | 15584 | 2D+3D | Ethionamide | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 17 | 179|274|357|377|410|411|421|426|427|433|434|435|444|445|446|447|448|450|451|485|526|530|540|541|542|543|544|545|546|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|631|654|655|656|657|658|659|660|661|662|663|664|665|666|667|731|781|782|875|880|881|883|884|885|886|887|889|891|892|893|894|899|900|901|902|... | 20050325 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Acadechem|Achemtek|Acmec Biochemical|Activate Scientific|AHH Chemical co.,ltd|AK Scientific,... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents|D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors|D009676 - Noxae > D000963 - ... |
14052 | Ethambutol | ethambutol|74-55-5|Myambutol|Ethambutolum|Aethambutolum|D-Ethambutol|Tibutol|(+)-S,S-Ethambutol|Ethambutol Hydrochloride|(+)-ethambutol|(S,S)-ethambutol|(2S,2'S)-2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol)|Etambutolo [DCIT]|Etambutol [INN-Spanish]|Ethambutolum [INN-Latin]|S,S-Ethambutol|Diambutol|CHEBI:4877|Eth... | 204.310 | C10H24N2O2 | 64.500 | 109.000 | -0.100 | 14 | 4 | 4 | 9 | InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1 | CC[C@@H](CO)NCCN[C@@H](CC)CO | CCC(CO)NCCNC(CC)CO | AEUTYOVWOVBAKS-UWVGGRQHSA-N | (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol | 204.184 | 204.184 | 0 | 1 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 13861 | 33557 | 8679 | 2D+3D | Ethambutol | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological T... | 17 | 1195|27167|28681|29359|29813|104011|117753|117756|117759|117764|143120|143706|143707|143708|143709|143711|143712|143713|143716|143717|143718|143719|143720|144139|144146|144303|144742|145136|145137|145138|145153|145272|145295|145296|145297|145298|245396|251785|265977|265978|265979|271342|278000|285159|285160|285161|2851... | 20050624 | 10X CHEM|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Ch... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents|J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis |
5816 | Epinephrine | epinephrine|adrenaline|l-Adrenaline|L-epinephrine|51-43-4|Adrenalin|Levoepinephrine|Nephridine|Adnephrine|Chelafrin|Epinefrina|Epinephran|Epirenan|Epipen|(-)-Epinephrine|(-)-Adrenaline|Renoform|Vasoconstrictine|Bronkaid Mist|Primatene Mist|Adrenalinum|Glauposine|Hemostasin|Hemostatin|Hypernephrin|Levorenin|Levorenine|M... | 183.200 | C9H13NO3 | 72.700 | 154.000 | -1.400 | 13 | 4 | 4 | 3 | InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 | CNC[C@@H](C1=CC(=C(C=C1)O)O)O | CNCC(C1=CC(=C(C=C1)O)O)O | UCTWMZQNUQWSLP-VIFPVBQESA-N | 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol | 183.09 | 183.09 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 141479 | 262704 | 76683 | 2D+3D | Epinephrine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological T... | 17 | 357|410|411|444|445|446|447|448|450|451|526|530|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|662|875|879|880|881|883|884|885|886|887|889|891|892|893|894|895|899|900|901|902|912|914|915|917|918|923|924|925|926|927|928|938|943|944|945|954|957|958|959|992|995|997|998|1030|1195|1379|1452|1454|1457|1458|1... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Adooq B... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations|B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics > B02BC - Local hemostatics|C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl... |
6918493 | Ambrisentan | Ambrisentan|177036-94-1|Letairis|Volibris|LU-208075|BSF-208075|(S)-2-(4,6-Dimethylpyrimidin-2-yloxy)-3-methoxy-3,3-diphenylpropanoic acid|(S)-2-((4,6-Dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid|BSF 208075|UNII-HW6NV07QEC|HW6NV07QEC|GSK1325760A|GSK-1325760A|DTXSID4046282|GSK1325760|GSK-1325760|CHEMB... | 378.400 | C22H22N2O4 | 81.500 | 475.000 | 3.800 | 28 | 1 | 6 | 7 | InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1 | CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C | CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C | OUJTZYPIHDYQMC-LJQANCHMSA-N | (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid | 378.158 | 378.158 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1229 | 7620 | 1422 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 66523|68318|169570|175125|186073|197008|197010|588211|588212|588213|588834|603845|625276|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|651631|651632|651633|651634|651635|652048|652051|686978|686979|720516|720532|720533|720552|720634|720635|720637|720674|720675|720678|... | 20060728 | 001Chemical|10X CHEM|1st Scientific|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbovChem LLC|Acesobio|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AK Scientific, Inc. (AKSCI)... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist|D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents|C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent|C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives... |
2723872 | D-Fructose | D-Arabino-Hex-2-ulo-Pyranose|D-Fru|D-Fructopyranose|D-Fructopyranoside|D-Fructose|Fru|Fructopyranose|Fructopyranoside|Fructose|CHEBI:37714|fructosteril|laevoral|laevosan|levugen|UNII-R73GS1TJE0|HSDB 526|Fruchtzucker|Fruktose|Laevulose|Levolose|BRN 1423189|arabino-hex-2-ulose|[14C]-Fructose|4-01-00-04402 (Beilstein Hand... | 180.160 | C6H12O6 | 110.000 | 162.000 | -2.800 | 12 | 5 | 6 | 1 | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1 | C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O | C1C(C(C(C(O1)(CO)O)O)O)O | LKDRXBCSQODPBY-VRPWFDPXSA-N | (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol | 180.063 | 180.063 | 0 | 1 | 0 | 4 | 3 | 1 | 0 | 0 | 0 | 18561 | 16313 | 6698 | 2D+3D | Fructose | Agrochemical Information|Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Informat... | 16 | 728618|728620|728624 | 20050719 | 3B Scientific (Wuhan) Corp|ABI Chem|AKos Consulting & Solutions|BioCyc|BLD Pharm|CCSbase|CD Formulation|ChEBI|ChEMBL|ChemExper Chemical Directory|Cheminformatics Friedrich-Schiller-University Jena|ChemSpider|ChemTik|Comparative Toxicogenomics Database (CTD)|DiscoveryGate|DrugCentral|ECI Group, LCSB, University of Luxem... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000074385 - Food Ingredients > D005503 - Food Additives|D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents|V - Various > V06 - General nutrients > V06D - Other nutrients > V06DC - Carbohydrates|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
5352425 | Lead | 7439-92-1|Lead|Pb|Lead metal|Plumbum|Lead element|Lead flake|Lead cation Pb4+|Glover|Blei|Plumbum metallicum|Omaha & grant|Rough lead bullion|Lead, ion (Pb4+)|Lead S2|Olow|Lead powder|Lead S 2|SSO 1|C.I. 77575|CCRIS 1581|HSDB 231|KS-4|Pb-S 100|EINECS 231-100-4|UNII-7Y62STE4M2|7Y62STE4M2|lead(0)|CI 77575|METALLIC LEAD|U... | 207.000 | Pb | 0.000 | 0.000 | null | 1 | 0 | 0 | 0 | InChI=1S/Pb | [Pb] | [Pb] | WABPQHHGFIMREM-UHFFFAOYSA-N | lead | 207.977 | 207.977 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 39050 | 8205 | 5966 | 2D | Lead | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Taxonomy|Bi... | 16 | 1259407|1259408 | 20040916 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|Acadechem|Aceschem Inc|Achemica|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AK... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
5090 | Rofecoxib | rofecoxib|162011-90-7|Vioxx|Ceoxx|MK 966|4-(4-(Methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one|refecoxib|Vioxx Dolor|MK-966|4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one|MK0966|4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone|MK 0966|MK-0966|rofecoxibum|3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one|CCRIS... | 314.400 | C17H14O4S | 68.800 | 556.000 | 2.300 | 22 | 0 | 4 | 3 | InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | RZJQGNCSTQAWON-UHFFFAOYSA-N | 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one | 314.061 | 314.061 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6759 | 83135 | 14943 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1|3|5|7|9|13|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|67|71|73|77|79|81|83|85|87|91|93|95|97|99|101|103|105|107|109|113|115|119|121|123|125|129|131|133|137|139|141|143|145|875|880|881|884|885|887|889|892|893|894|900|902|910|923|924|927|930|940|995|1030|1195|1376|1379|1385|1422|1452|1454|1457|1458|1460|1... | 20040916 | 1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|Abbott Labs|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Activate Scientific|Adooq BioScience|AEchem Scientific Corp.,... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic|D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors|C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor|C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibit... |
1135 | Thymine | thymine|5-methyluracil|65-71-4|2,4-Dihydroxy-5-methylpyrimidine|Thymin|5-methylpyrimidine-2,4(1H,3H)-dione|Thymine anhydrate|2,4(1H,3H)-Pyrimidinedione, 5-methyl-|Thymin (purine base)|5-Methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione|5-methyl-2,4(1H,3H)-pyrimidinedione|5-methyl-1H-pyrimidine-2,4-dione|5-Methyl Uracil|CCR... | 126.110 | C5H6N2O2 | 58.200 | 195.000 | -0.600 | 9 | 2 | 2 | 0 | InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) | CC1=CNC(=O)NC1=O | CC1=CNC(=O)NC1=O | RWQNBRDOKXIBIV-UHFFFAOYSA-N | 5-methyl-1H-pyrimidine-2,4-dione | 126.043 | 126.043 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 25758 | 13573 | 5400 | 2D+3D | Thymine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxon... | 16 | 155|157|161|165|167|175|192|210|220|222|226|248|274|302|328|330|47311|155106|155120|155299|211081|217732|477229|501986|501987|501988|1149713|1149714|1149715|1159520|1159521|1159523|1159525|1159526|1159527|1159528|1159529|1159531|1159551|1159552|1159555|1224834|1224835|1224836|1224837|1224838|1224839|1224840|1224841|122... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|AAA Chemistry|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Accela ChemBio Inc.|Aceschem Inc|Achemica|Achemo Scientific Limited|Achemtek|Activate Scientific|AHH Chemical ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
135398635 | Guanosine | guanosine|118-00-3|guanine riboside|vernine|Guanozin|Guanosin|Inosine, 2-amino-|USAF CB-11|2-Amino-1,9-dihydro-9-beta-D-ribofuranosyl-6H-purin-6-one|Guanine-9-beta-D-ribofuranoside|9-beta-D-Ribofuranosylguanine|Vernine (VAN)|beta-D-Ribofuranoside, guanine-9|Guanine, 9-beta-D-ribofuranosyl-|Ribofuranoside, guanine-9, be... | 283.240 | C10H13N5O5 | 155.000 | 446.000 | -1.900 | 20 | 5 | 7 | 2 | InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N | NYHBQMYGNKIUIF-UUOKFMHZSA-N | 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one | 283.092 | 283.092 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 10882 | 118186 | 31919 | 2D+3D | Guanosine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 16 | 875|880|881|884|885|887|889|892|893|894|900|901|902|923|924|995|1030|1379|1452|1454|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1490|1519|1766|1768|1811|1865|1948|2101|2107|2112|2147|2451|2472|2517|2528|2546|2549|2551|71649|71650|82319|93194|106497|155467|157569|158514|199616|199747|199751|209954|217433|2177... | 20190115 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|AAA Chemistry|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Aceschem Inc|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Adooq BioScience|AEchem Scientific Corp., USA|AH... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
1188 | Xanthine | xanthine|69-89-6|2,6-Dihydroxypurine|2,6-dioxopurine|1H-Purine-2,6(3H,7H)-dione|Xanthin|Xanthic oxide|Pseudoxanthine|Isoxanthine|1H-Purine-2,6-diol|9H-Purine-2,6-diol|Purine-2,6-diol|1H-Purine-2,6-dione, 3,7-dihydro-|3,7-dihydropurine-2,6-dione|3,7-Dihydro-1H-purine-2,6-dione|2,6(1,3)-Purinedion|2,6-Dioxo-1,2,3,6-tetra... | 152.110 | C5H4N4O2 | 86.900 | 217.000 | -0.700 | 11 | 3 | 3 | 0 | InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) | C1=NC2=C(N1)C(=O)NC(=O)N2 | C1=NC2=C(N1)C(=O)NC(=O)N2 | LRFVTYWOQMYALW-UHFFFAOYSA-N | 3,7-dihydropurine-2,6-dione | 152.033 | 152.033 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 18515 | 58961 | 21957 | 2D+3D | Xanthine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 16 | 155|157|161|165|167|175|248|270|608|1033|1469|1479|1549|1552|1637|1648|2842|32155|55471|66419|74022|75917|187182|202405|219846|227877|239883|252792|252796|274549|274550|274551|274554|274562|274563|363284|363291|453742|453743|453745|453746|485350|485395|493033|502389|502390|504770|540299|588513|588514|588515|588516|5885... | 20040916 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Accela ChemBio Inc.|Achemica|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|Activate Scientific|AEchem Scie... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map, PDB, Protein Data Bank |
8955 | Pregnenolone | pregnenolone|145-13-1|3beta-Hydroxypregn-5-en-20-one|Arthenolone|Pregnetan|Pregneton|Pregnolon|Prenolon|Regnosone|Skinostelon|Enelone|5-Pregnen-3beta-ol-20-one|Natolone|Bina-Skin|delta5-Pregnenolone|5-Pregnen-3-beta-ol-20-one|(3BETA)-3-HYDROXYPREGN-5-EN-20-ONE|5-Pregnenolone|3-beta-Hydroxypregn-5-en-20-one|NSC 1616|Pre... | 316.500 | C21H32O2 | 37.300 | 550.000 | 4.200 | 23 | 1 | 2 | 1 | InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1 | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C | CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | ORNBQBCIOKFOEO-QGVNFLHTSA-N | 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone | 316.24 | 316.24 | 0 | 1 | 0 | 7 | 7 | 0 | 0 | 0 | 0 | 9175 | 10545 | 3415 | 2D+3D | Pregnenolone | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Test R... | 16 | 377|1332|1850|1863|1899|1903|1906|1947|1950|1962|1974|1987|2016|2023|2025|2029|2052|2057|2066|2101|2129|2130|2174|2177|2234|2235|2280|2300|2380|2391|2435|2445|2462|2517|2520|2521|2524|2540|2544|2557|2599|2606|2629|2650|2661|2676|2685|2690|2716|2717|2718|2751|2796|2797|2805|2806|2825|23943|39451|50906|51048|51049|51052|... | 20050601 | 001Chemical|10X CHEM|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Ace Therapeutics|Achemtek|AHH Chemical co.,ltd|AKos Consulting & Solutions|Alfa Chemistry|AN PharmaTech|AstaTech, Inc.|Aurora Fi... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
637568 | Dimethyl Fumarate | Dimethyl fumarate|624-49-7|Tecfidera|(E)-Dimethyl fumarate|Dimethylfumarate|Methyl fumarate|Fumaric acid, dimethyl ester|Fumaderm|Dimethyl (E)-but-2-enedioate|Fumaric acid dimethyl ester|BG-12|Boletic acid dimethyl ester|Panaclar|Dimethyl trans-ethylenedicarboxylate|trans-Butenedioic acid dimethyl ester|Allomaleic acid... | 144.120 | C6H8O4 | 52.600 | 141.000 | 0.700 | 10 | 0 | 4 | 4 | InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+ | COC(=O)/C=C/C(=O)OC | COC(=O)C=CC(=O)OC | LDCRTTXIJACKKU-ONEGZZNKSA-N | dimethyl (E)-but-2-enedioate | 144.042 | 144.042 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 3709 | 39414 | 15932 | 2D+3D | Dimethyl Fumarate | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxon... | 16 | 155|157|161|165|167|175|248|651828|651834|757414|757415|757416|757417|1063372|1136542|1136544|1136546|1136547|1136549|1136551|1136553|1136555|1136557|1136559|1136561|1136563|1136565|1136567|1136569|1136572|1224863|1230959|1230961|1230962|1230963|1230964|1230965|1230966|1259251|1259397|1259398|1259416|1259421|1259423|13... | 20050326 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acmec Biochemical|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AKos Consulting &... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents|C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent|L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants|D011838 - Radiation-Sensitizing Agents|D003879 - Dermatologic Agents|C78284 - Agent Affecti... |
13711 | 2'-Deoxycytidine | 2'-deoxycytidine|deoxycytidine|951-77-9|CYTIDINE, 2'-DEOXY-|dCYD|Deoxyribose cytidine|Cytosine deoxyriboside|4-Amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one|207121-53-7|Desoxycytidin [German]|Cytosine, deoxyribonucleoside|Doxecitine|d-cytidine|1beta-2'-Deoxyribofuranosylcytosin... | 227.220 | C9H13N3O4 | 108.000 | 355.000 | -1.800 | 16 | 3 | 4 | 2 | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O | C1C(C(OC1N2C=CC(=NC2=O)N)CO)O | CKTSBUTUHBMZGZ-SHYZEUOFSA-N | 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | 227.091 | 227.091 | 0 | 1 | 0 | 3 | 3 | 0 | 0 | 0 | 0 | 21709 | 37508 | 10024 | 2D+3D | Deoxycytidine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biolo... | 16 | 875|880|881|884|885|887|889|892|893|894|900|901|902|923|924|995|1030|1379|1452|1454|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1490|1519|1766|1768|1865|1948|2101|2107|2112|2147|2451|2472|2517|2528|2546|2549|2551|20871|32065|32066|55385|55974|55976|56586|56587|97846|97848|98851|100244|105747|105750|105756|10... | 20050601 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C26170 - Protective Agent > C2459 - Chemoprotective Agent|C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
13712 | 2'-Deoxyuridine | 2'-DEOXYURIDINE|951-78-0|deoxyuridine|Uracil deoxyriboside|2-Deoxyuridine|1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione|Uridine, 2'-deoxy-|Deoxyribose uracil|2'-Desoxyuridine|dURD|2'-Deoxyuridine-1'-d|1-(2-Deoxy-beta-D-ribofuranosyl)uracil|W78I7AY22C|CHEBI:16450|1-[(2R,4S,5R)... | 228.200 | C9H12N2O5 | 99.100 | 343.000 | -1.600 | 16 | 3 | 5 | 2 | InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O | C1C(C(OC1N2C=CC(=O)NC2=O)CO)O | MXHRCPNRJAMMIM-SHYZEUOFSA-N | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | 228.075 | 228.075 | 0 | 1 | 0 | 3 | 3 | 0 | 0 | 0 | 0 | 4504 | 22119 | 6366 | 2D+3D | Deoxyuridine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biolo... | 16 | 875|880|881|884|885|887|889|892|893|894|900|901|902|923|924|995|1030|1376|1379|1385|1422|1452|1454|1457|1460|1463|1465|1467|1468|1469|1471|1476|1477|1478|1479|1490|1511|1519|1529|1530|1531|1532|1554|1621|1626|1662|1663|1672|1766|1768|1813|1814|1832|1850|1863|1865|1875|1885|1899|1903|1906|1910|1947|1948|1950|1956|1962|1... | 20050624 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|AbaChemScene|abcr GmbH|ABI Chem|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutio... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D009676 - Noxae > D000963 - Antimetabolites|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
11850 | Galactitol | dulcitol|galactitol|608-66-2|dulcite|dulcose|Euonymit|D-Galactitol|Melampyrin|Melampyrit|(2R,3S,4R,5S)-Hexane-1,2,3,4,5,6-hexaol|D-Dulcitol|(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol|Melampyrite|Melampyrum|meso-galactitol|L-galactitol|CHEBI:16813|113ZQ1Y7DD|DTXSID1046051|MFCD00064288|2234851-14-8|rel-(2R,3S,4R,5S)-Hexane-1... | 182.170 | C6H14O6 | 121.000 | 105.000 | -3.100 | 12 | 6 | 6 | 5 | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6- | C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O | C(C(C(C(C(CO)O)O)O)O)O | FBPFZTCFMRRESA-GUCUJZIJSA-N | (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol | 182.079 | 182.079 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 3565 | 47368 | 14773 | 2D+3D | Galactitol | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Act... | 16 | 2517|588834|595446|595447|595448|595449|595450|651631|651632|651633|651634|651635|652048|652051|686978|686979|720516|720532|720533|720552|720634|720635|720637|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720719|720725|743012|743014|743015|743033|743035|743036|... | 20040916 | 10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|Acadechem|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Ambeed|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
15939 | Paraquat | PARAQUAT|4685-14-7|Paraquat ion|1,1'-Dimethyl-4,4'-bipyridinium|Paraquat dication|Dimethyl viologen|4,4'-Bipyridinium, 1,1'-dimethyl-|Methyl viologen (2+)|Starfire|Weedol|Spraytop-graze|Dextrone X|Gramoxone|Methyl viologen ion(2+)|N,N'-Dimethyl-4,4'-bipyridinium|1,1'-Dimethyl-4,4'-bipyridyldiylium|CCRIS 7731|1-methyl-4... | 186.250 | C12H14N2+2 | 7.800 | 145.000 | 1.700 | 14 | 0 | 0 | 1 | InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2 | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C | INFDPOAKFNIJBF-UHFFFAOYSA-N | 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium | 186.116 | 186.116 | 2 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6618 | 41633 | 12165 | 2D+3D | Paraquat | Agrochemical Information|Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Informat... | 16 | 61001|61002|369249|369250|369251|369252|369253|369625|485350|485395|492967|493033|493162|504770|538370|540238|540299|588208|588209|588210|588220|588519|602314|720641|1077673|1077674|1077675|1077676|1077677|1085464|1090175|1090176|1090177|1092853|1092854|1092855|1092856|1092857|1092858|1092859|1092860|1097874|1097875|10... | 20050327 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|Acadechem|Achemica|Achemo Scientific Limited|Achemtek|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alichem|Ama... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D010575 - Pesticides > D006540 - Herbicides|D016573 - Agrochemicals|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
6133 | Uridine 5'-triphosphate | uridine 5'-triphosphate|uridine triphosphate|63-39-8|Uridine 5'-(tetrahydrogen triphosphate)|UTP|Uteplex|5'-UTP|Uridine 5'-triphosphoric acid|INS316|uridine-5'-triphosphate|H4utp|BRN 0071520|UTP;Uridine 5'-triphosphate|CHEMBL336296|Ara-utp|CHEBI:15713|INS-316|UT0S826Z60|Uridine 5'-triphosphate tris salt|(((2R,3S,4R,5R)... | 484.140 | C9H15N2O15P3 | 259.000 | 839.000 | -5.800 | 29 | 7 | 15 | 8 | InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O | PGAVKCOVUIYSFO-XVFCMESISA-N | [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | 483.969 | 483.969 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 4159 | 16166 | 4791 | 2D+3D | Uridine Triphosphate | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biolo... | 16 | 880|1030|1457|1458|1460|1463|1468|1469|1471|1477|1479|1490|1865|2101|2107|2112|2517|2549|40281|40282|50022|89268|89269|89271|89273|150321|150331|150489|150627|150634|150636|221765|261436|261437|261438|261696|261697|261699|272716|272719|272722|278942|278943|278951|278952|280297|280298|280301|302989|304928|304929|304930|... | 20040916 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|AAA Chemistry|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|ACT Chemical|Activate Scientific|AEchem... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
15993 | 2'-Deoxyadenosine 5'-triphosphate | dATP|1927-31-7|2'-deoxyadenosine 5'-triphosphate|Deoxyadenosine triphosphate|2'-deoxyadenosine triphosphate|deoxy-ATP|Deoxyadenosine 5'-triphosphate|2'-deoxyadenosine-5'-triphosphate|2'-Datp|2'-Deoxy-5'-ATP|2'-Deoxyadenosine 5'-(tetrahydrogen triphosphate)|Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-|[[(2R,3S,5... | 491.180 | C10H16N5O12P3 | 259.000 | 769.000 | -4.400 | 30 | 6 | 16 | 8 | InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O | C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O | SUYVUBYJARFZHO-RRKCRQDMSA-N | [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | 491.001 | 491.001 | 0 | 1 | 0 | 3 | 3 | 0 | 0 | 0 | 0 | 1355 | 7967 | 2446 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Act... | 16 | 1811|18096|22610|24495|53665|107751|107761|107763|107766|107772|107904|107907|150470|150489|167233|167235|198921|229453|294600|294601|395722|395723|395724|395725|395726|395727|572770|572771|572772|618865|618875|618876|618877|670143|670145|670146|670147|670148|671283|711522|711538|711539|977611|1124515|1124517|1124518|1... | 20050608 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Ala... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
6321424 | Ivermectin B1a | Ivermectin B1a|IVERMECTIN|Dihydroavermectin B1a|70288-86-7|71827-03-7|22,23-Dihydroavermectin B1a|70161-11-4|22,23-Dihydroavermectin B1|Ivermectin Component B1a|avermectin H2B1a|Ivermectin B1a-d2|5-O-demethyl-22,23-dihydroavermectin A1a|DTXSID8023181|CHEBI:63941|91Y2202OUW|(2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,... | 875.100 | C48H74O14 | 170.000 | 1680.000 | 4.100 | 62 | 3 | 14 | 8 | InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30... | CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C | CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C | AZSNMRSAGSSBNP-XPNPUAGNSA-N | (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one | 874.508 | 874.508 | 0 | 1 | 0 | 20 | 20 | 0 | 3 | 3 | 0 | 12640 | 30852 | 7387 | 2D | Ivermectin | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Taxonomy|Biological Test R... | 16 | 1189|1195|1208|1332|2517|588834|624101|624136|624138|624139|624141|624151|624349|651631|651632|651633|651634|651828|652048|652051|686977|686978|686979|720516|720532|720533|720552|720634|720635|720637|720641|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|720691|720692|720693|720717|7... | 20051120 | 001Chemical|AbaChemScene|Abe Lab, University of Texas MD Anderson Cancer Center|Achemtek|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|AstaTech, Inc.|Aurora Fine Chemicals LLC|AvaChem Scientific|BenchChem|BindingDB|BioAustralis Fine Ch... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CF - Avermectines|D - Dermatologicals|D010575 - Pesticides > D007306 - Insecticides|D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents|D016573 - Agrochemicals|COVID-19|COVID19|Coronavirus|Coron... |
5892 | Nadide | nadide|NAD+|53-84-9|beta-nicotinamide adenine dinucleotide|coenzyme I|beta-NAD|Codehydrase I|Codehydrogenase I|nicotinamide adenine dinucleotide|beta-NAD+|Cozymase I|beta-Diphosphopyridine nucleotide|diphosphopyridine nucleotide|NAD|Nicotinamide dinucleotide|CO-I|Enzopride|COZYMASE|Nadidum|Nicotinamide-adenine dinucleo... | 663.400 | C21H27N7O14P2 | 321.000 | 1120.000 | -6.000 | 44 | 7 | 18 | 11 | InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N | C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N | BAWFJGJZGIEFAR-NNYOXOHSSA-N | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate | 663.109 | 663.109 | 0 | 1 | 0 | 8 | 8 | 0 | 0 | 0 | 0 | 43981 | 12507 | 5399 | 2D+3D | NAD | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 16 | 940|1332|1422|1580|1581|1582|1583|1584|1585|1586|1587|1588|1589|1590|1593|1594|1595|1596|1597|1598|1599|1600|1601|1602|1603|1604|1605|1606|1607|1608|1609|1610|1611|1612|1613|1614|1616|2517|33708|33861|52125|70969|74665|74666|99367|99370|106792|106795|268956|269134|269136|492967|493162|588211|588212|588213|588834|597364... | 20050608 | 001Chemical|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acmec Biochemical|Acorn PharmaTech Product List|Adooq BioScience|AEchem Scientific Corp., USA|AK Scientific, Inc. (AKSCI)|AKos Consult... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
5291 | Imatinib | Imatinib|152459-95-5|STI571|Imatinib (STI571)|sti-571|Imatinib free base|Glamox|N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide|Cgp 57148|STI 571|CCRIS 9076|UNII-BKJ8M8G5HI|BKJ8M8G5HI|Imatinib (INN)|NSC-743414|NSC-759854|4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-MET... | 493.600 | C29H31N7O | 86.300 | 706.000 | 3.500 | 37 | 2 | 7 | 7 | InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 | KTUFNOKKBVMGRW-UHFFFAOYSA-N | 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | 493.259 | 493.259 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 29593 | 114773 | 24452 | 2D+3D | Imatinib Mesylate | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1|3|5|7|9|13|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|65|67|71|73|77|79|81|83|85|89|91|93|95|97|99|101|103|105|107|109|113|115|119|121|123|125|129|131|133|137|139|141|143|145|880|881|894|1030|1379|1433|1452|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1688|1766|1768|1811|1865|1948|21... | 20050325 | 001Chemical|10X CHEM|3A SpeedChemical Inc|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|Abbott Labs|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Aceschem Inc|Acesobio|Achemica|Achemo Scientific Li... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor|C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor|C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent|L - Antineoplastic and immunomodulat... |
3899 | Leflunomide | leflunomide|75706-12-6|Arava|lefunamide|Leflunomida|Leflunomidum|Repso|leflunomide medac|HWA 486|HWA-486|5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide|Leflunomidum [INN-Latin]|5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide|SU 101 (pharmaceutical)|SU101|Leflunomide teva|SU-101|Leflunomi... | 270.210 | C12H9F3N2O2 | 55.100 | 327.000 | 2.500 | 19 | 1 | 6 | 2 | InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18) | CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F | CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F | VHOGYURTWQBHIL-UHFFFAOYSA-N | 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide | 270.062 | 270.062 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8851 | 60594 | 11008 | 2D+3D | Leflunomide | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 1|3|5|7|9|13|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|65|67|71|73|77|79|81|83|85|89|91|93|95|97|99|101|103|105|107|109|113|119|121|123|125|129|131|133|137|139|141|143|145|357|361|364|368|371|373|374|375|377|410|411|422|425|429|430|431|432|436|438|440|441|444|445|446|447|448|449|450|451|453|454|455|456|4... | 20050325 | 10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemtek|Acmec Biochemical|Activate Scientific|Active Biopharma|Adooq BioScien... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents|C471 - Enzyme Inhibitor > C2169 - Dihydroorotate Dehydrogenase Inhibitor|C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C1971 - Angiogenesis Activator Inhibitor|D004791 - Enzyme Inhibitors|L - Antineoplastic and immunomodulating agents >... |
4594 | Omeprazole | omeprazole|73590-58-6|Losec|Prilosec|Esomeprazole|Antra|Audazol|Omeprazon|Mopral|Omapren|Parizac|Ceprandal|Dizprazol|Emeproton|Epirazole|Gastrimut|Gastroloc|Inhibitron|Logastric|Peptilcer|Sanamidol|Secrepina|Ulcometion|Belmazol|Dudencer|Gibancer|Indurgan|Inhipump|Miracid|Omepral|Omeprol|Ompanyt|Pepticum|Prazidec|Ramezo... | 345.400 | C17H19N3O3S | 96.300 | 453.000 | 2.200 | 24 | 1 | 6 | 5 | InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) | CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC | CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC | SUBDBMMJDZJVOS-UHFFFAOYSA-N | 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole | 345.115 | 345.115 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 23529 | 56350 | 20528 | 2D+3D | Omeprazole | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 357|361|364|368|371|373|374|375|377|410|411|422|425|429|430|431|432|436|438|440|441|444|445|446|447|448|449|450|451|453|454|455|456|457|460|483|485|487|488|501|518|521|522|524|525|526|527|528|529|530|538|539|552|555|556|559|560|561|565|567|570|571|572|573|574|575|576|577|580|581|584|585|587|588|589|590|591|592|593|594|... | 20050325 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific Inc|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemica|Ache... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor|A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors|D004791 - Enzyme... |
2541 | Candesartan | candesartan|139481-59-7|CV-11974|1-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic acid|2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid|CV 11974|UNII-S8Q36MD2XX|S8Q36MD2XX|NSC-759858|2-Ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-... | 440.500 | C24H20N6O3 | 119.000 | 660.000 | 4.100 | 33 | 2 | 7 | 7 | InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29) | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O | HTQMVQVXFRQIKW-UHFFFAOYSA-N | 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid | 440.16 | 440.16 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6834 | 34907 | 6896 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1195|1471|1490|1688|1766|1768|2063|2528|2546|2551|2662|16032|23226|23686|23918|26234|26605|27037|27862|29138|37516|37529|39030|39036|39038|39039|39652|39791|166990|167359|167803|181931|181935|183722|183723|183919|183920|183921|183922|183923|184050|184209|185262|185264|185267|185269|185270|185393|197344|237099|237841|23... | 20050325 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Produc... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09C - Angiotensin ii receptor blockers (arbs), plain > C09CA - Angiotensin ii receptor blockers (arbs), plain|D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers|D002317 - Cardiovascular Agents ... |
5281605 | Baicalein | baicalein|491-67-8|5,6,7-Trihydroxyflavone|Noroxylin|5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one|Biacalein|BaiKalein|5,6,7-trihydroxy-2-phenylchromen-4-one|5,6,7-trihydroxy-2-phenyl-chromen-4-one|MFCD00017459|NSC 661431|NSC-661431|CHEBI:2979|UNII-49QAH60606|NSC661431|49QAH60606|5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-... | 270.240 | C15H10O5 | 87.000 | 413.000 | 1.700 | 20 | 3 | 5 | 1 | InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O | FXNFHKRTJBSTCS-UHFFFAOYSA-N | 5,6,7-trihydroxy-2-phenylchromen-4-one | 270.053 | 270.053 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3478 | 7151 | 3406 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biolo... | 16 | 1|3|5|7|9|13|15|19|21|23|25|31|33|35|37|39|41|43|45|47|49|53|55|59|65|71|73|77|79|81|85|89|91|93|95|99|103|105|107|109|113|119|121|123|125|129|131|133|137|139|141|143|145|179|381|382|388|410|411|445|447|448|450|451|526|530|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|608|662|875|880|881|883|884|885|8... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Adooq BioScienc... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists|D020011 - Protective Agents > D000975 - Antioxidants|D004791 - Enzyme Inhibitors|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Da... |
392622 | Ritonavir | ritonavir|155213-67-5|Norvir|ABT-538|A-84538|Abbott 84538|ABBOTT-84538|Empetus|Ritomune|Ritovir|Viriton|DRG-0244|RTV|Ritonavirum|Viekirax|CHEBI:45409|HSDB 7160|ABT 538|TMC 114r|NSC-693184|UNII-O3J8G9O825|DTXSID1048627|O3J8G9O825|NSC693184|CHEMBL163|1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[me... | 720.900 | C37H48N6O5S2 | 202.000 | 1040.000 | 6.000 | 50 | 4 | 9 | 18 | InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 | CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O | CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O | NCDNCNXCDXHOMX-XGKFQTDJSA-N | 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate | 720.313 | 720.313 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 15870 | 59937 | 12384 | 2D | Ritonavir | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1|3|5|7|9|13|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|65|67|71|73|77|79|81|83|85|89|91|93|95|97|99|101|103|105|107|109|113|119|121|123|125|129|131|133|137|139|141|143|145|485|631|731|781|782|880|881|894|950|951|952|1001|1006|1007|1008|1009|1012|1016|1018|1019|1020|1021|1022|1027|1030|1032|1040|1048|1049... | 20050326 | 001Chemical|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbovChem LLC|Aceschem Inc|Acesobio|Achemtek|Activate Scientific|Adooq BioScience|AHH Chemical co.,ltd|AKos Consulting & Solutions|Alsachim|Amadis Chemical|Ambeed|AN PharmaTech|Ange... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors|C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibito... |
3062316 | Dasatinib | Dasatinib|302962-49-8|Sprycel|BMS-354825|Dasatinib anhydrous|BMS 354825|Dasatinib (anhydrous)|BMS354825|dasatinibum|N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE|anh. dasatinib|N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-... | 488.000 | C22H26ClN7O2S | 135.000 | 642.000 | 3.600 | 33 | 3 | 9 | 7 | InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO | CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO | ZBNZXTGUTAYRHI-UHFFFAOYSA-N | N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide | 487.156 | 487.156 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8883 | 51135 | 10677 | 2D+3D | Dasatinib | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1|3|5|7|9|13|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|65|67|71|73|77|79|81|83|85|89|91|93|95|97|99|101|103|105|107|109|113|115|119|121|123|125|129|131|133|137|139|141|143|145|1433|1471|1490|1688|1766|1768|2528|2546|2551|2662|271945|271946|271947|271950|271951|271954|271967|271968|271970|271971|271972|27... | 20050809 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|Abbott Labs|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Acesobio|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scie... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor|C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor|C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor|L - Antineoplastic and immunomodulating agents > L01 - Antineopl... |
2162 | Amlodipine | amlodipine|88150-42-9|Norvasc|Amlocard|Coroval|Lipinox|Amlodipino|Amlodipinum|Amlodipine Free Base|AMLODIPINE BASE|Caduet|Istin|Amlodipinum [Latin]|CHEBI:2668|3-ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate|Amlodis|UNII-1J444QC288|HSDB 7079|HGP0904|UK-4834011... | 408.900 | C20H25ClN2O5 | 99.900 | 647.000 | 3.000 | 28 | 2 | 7 | 10 | InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3 | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN | HTIQEAQVCYTUBX-UHFFFAOYSA-N | 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | 408.145 | 408.145 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 14532 | 73380 | 32857 | 2D+3D | Amlodipine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 1195|1376|1385|1422|1465|1469|1477|1479|1490|1511|1529|1530|1531|1532|1554|1621|1626|1662|1663|1672|1766|1768|1813|1814|1832|1850|1863|1875|1885|1899|1903|1906|1910|1947|1950|1956|1962|1974|1979|1987|2016|2023|2025|2029|2052|2057|2066|2094|2097|2098|2099|2101|2107|2112|2129|2130|2156|2174|2177|2216|2221|2227|2234|2235|... | 20050325 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemtek|Acmec Biochemical|Acorn PharmaTech Product L... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers|D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents|D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|D000077264 - Calcium-Regulating Hormones and Agents|C - Cardiovascular system > C08 - Calcium channel blockers > C08C - ... |
16362 | Pimozide | pimozide|2062-78-4|Orap|Opiran|Pimozidum|McN-JR-6238|pimozida|Pimozidum [INN-Latin]|Primozida|R-6238|R 6238|Primozida [INN-Spanish]|R6238|CCRIS 9172|NSC 170984|UNII-1HIZ4DL86F|2H-Benzimidazol-2-one, 1-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-|EINECS 218-171-7|1HIZ4DL86F|NSC-170984|McN-JR 6238|BRN 07... | 461.500 | C28H29F2N3O | 35.600 | 632.000 | 6.300 | 34 | 1 | 4 | 7 | InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) | C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F | C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F | YVUQSNJEYSNKRX-UHFFFAOYSA-N | 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one | 461.228 | 461.228 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5527 | 21086 | 4623 | 2D+3D | Pimozide | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1|3|5|7|9|11|13|15|17|19|21|23|25|27|29|31|33|35|37|39|41|43|45|47|49|51|53|55|57|59|61|63|65|67|69|71|73|75|77|79|81|83|85|87|89|91|93|95|97|99|101|103|105|107|109|113|115|119|121|123|125|129|131|133|135|137|139|141|143|145|155|157|161|165|167|175|192|248|357|361|364|368|371|373|374|375|377|410|411|422|425|429|430|431... | 20050326 | 001Chemical|10X CHEM|1st Scientific|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Ambinter|AN PharmaTech|Angel Pharmatech Ltd.|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents|D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists|C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent|D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents >... |
5336 | Sulfapyridine | sulfapyridine|144-83-2|Sulphapyridine|2-Sulfapyridine|2-Sulfanilamidopyridine|Sulfidin|Sulfidine|Streptosilpyridine|2-Sulfanilylaminopyridine|Coccoclase|Eubasinum|Haptocil|Piridazol|Plurazol|Pyridazol|Dagenan|Eubasin|Relbapiridina|Septipulmon|Thioseptal|Adiplon|Pyriamid|Trianon|Ronin|2-Sulfanilamidopyridin|Solfapiridin... | 249.290 | C11H11N3O2S | 93.500 | 331.000 | 0.000 | 17 | 2 | 5 | 3 | InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) | C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N | C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N | GECHUMIMRBOMGK-UHFFFAOYSA-N | 4-amino-N-pyridin-2-ylbenzenesulfonamide | 249.057 | 249.057 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2634 | 9046 | 2803 | 2D+3D | Sulfapyridine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 155|157|161|165|167|175|248|357|361|364|368|371|373|374|375|377|410|411|422|425|429|430|431|432|436|438|440|441|444|445|446|447|448|449|450|451|453|454|455|456|457|460|483|485|487|488|501|518|521|522|524|525|526|527|528|529|530|538|539|552|555|556|559|560|561|565|567|568|570|571|572|573|574|575|576|577|580|581|583|584|... | 20050325 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000890 - Anti-Infective Agents > D013424 - Sulfanilamides|J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides|C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent|D003879 - Dermatologic Agents|COVID-19... |
208902 | Ramelteon | Ramelteon|196597-26-9|Rozerem|TAK-375|(S)-N-[2-(1,6,7,8-tetrahydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]propionamide|TAK375|(S)-N-(2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl)propionamide|UNII-901AS54I69|HSDB 7787|901AS54I69|CHEMBL1218|DTXSID6045951|Ramelteon [USAN]|RAMELTEON (MART.)|RAMELTEON [MART.]|Propanami... | 259.339 | C16H21NO2 | 38.300 | 331.000 | 2.700 | 19 | 1 | 2 | 4 | InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1 | CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3 | CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3 | YLXDSYKOBKBWJQ-LBPRGKRZSA-N | N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide | 259.157 | 259.157 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1100 | 5748 | 1162 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 940|1422|2240|2241|2275|2313|2322|2330|107723|107729|108025|108057|179962|232612|434959|485350|493033|504770|540299|567992|567993|567994|567995|567996|567997|568000|568001|568002|568003|568004|588519|602314|624137|624156|624260|624349|651548|651821|651957|651958|652010|652017|652039|652067|652126|652257|686940|686964|6... | 20050809 | 001Chemical|10X CHEM|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Ace Therapeutics|Acesobio|Achemo Scientific Limited|Achemte... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant|N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CH - Melatonin receptor agonists|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinica... |
5362129 | Ramipril | ramipril|87333-19-5|Tritace|Altace|Ramace|Delix|Triatec|Cardace|Vesdil|Acovil|Carasel|Pramace|Lostapres|Hytren|Hoe-498|Ramiprilum|Ramiprilum [Latin]|Naprix|Ramipro|Unipril|HOE 498|Corpril|Ramipres|Ecator|Hopace|Quark|Altace (TN)|UNII-L35JN3I7SJ|L35JN3I7SJ|NSC-758933|CHEBI:8774|DTXSID8023551|C09AA05|MFCD00865775|CHEMBL1... | 416.500 | C23H32N2O5 | 95.900 | 619.000 | 1.400 | 30 | 2 | 6 | 10 | InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1 | CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O | CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O | HDACQVRGBOVJII-JBDAPHQKSA-N | (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid | 416.231 | 416.231 | 0 | 1 | 0 | 5 | 5 | 0 | 0 | 0 | 0 | 9770 | 50274 | 10155 | 2D+3D | Ramipril | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 940|1195|1376|1385|1422|1465|1511|1529|1530|1531|1532|1554|1621|1626|1662|1663|1672|1813|1814|1832|1850|1863|1875|1885|1899|1903|1906|1910|1947|1950|1956|1962|1974|1987|1996|2016|2023|2025|2029|2052|2057|2066|2094|2097|2098|2099|2129|2130|2156|2174|2177|2216|2221|2227|2234|2235|2237|2239|2247|2280|2300|2380|2391|2435|2... | 20050808 | 3WAY PHARM INC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Ambe... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents|D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors|C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, pl... |
4740 | Pentoxifylline | pentoxifylline|Trental|6493-05-6|Oxpentifylline|Pentoxifyllin|Pentoxyphylline|Torental|Pentoxiphyllium|Vazofirin|Dimethyloxohexylxanthine|3,7-Dimethyl-1-(5-oxohexyl)xanthine|Pentoxiphyllin|Pentoxiphylline|Pentoxyfylline|1-(5-Oxohexyl)theobromine|Rentylin|1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)-|3,7... | 278.310 | C13H18N4O3 | 75.500 | 426.000 | 0.300 | 20 | 0 | 4 | 5 | InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 | CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C | CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C | BYPFEZZEUUWMEJ-UHFFFAOYSA-N | 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione | 278.138 | 278.138 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10239 | 33516 | 8100 | 2D+3D | Pentoxifylline | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 179|357|360|361|368|373|374|377|410|411|422|425|429|432|436|444|445|446|447|448|449|450|451|453|460|463|465|485|488|501|518|521|522|524|525|526|530|538|539|547|555|556|559|560|561|565|567|568|570|571|573|574|577|581|583|584|585|587|588|589|590|591|592|593|594|595|596|597|598|602|603|604|605|606|607|612|614|615|618|619|... | 20050325 | 10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Ambeed|Amb... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000975 - Antioxidants > D016166 - Free Radical Scavengers|D020011 - Protective Agents > D011837 - Radiation-Protective Agents|D020011 - Protective Agents > D000975 - Antioxidants|D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors|C471... |
213039 | Darunavir | Darunavir|206361-99-1|TMC114|TMC-114|Prezista|UIC-94017|TMC 114|Darunavirum|Darunavirum [INN-Latin]|Derunavir|(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate|(-)-DARUNAVIR|CHEMBL1323|(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-... | 547.700 | C27H37N3O7S | 149.000 | 853.000 | 2.900 | 38 | 3 | 9 | 12 | InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N | CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N | CJBJHOAVZSMMDJ-HEXNFIEUSA-N | [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate | 547.235 | 547.235 | 0 | 1 | 0 | 5 | 5 | 0 | 0 | 0 | 0 | 3475 | 15861 | 3438 | 2D+3D | Darunavir | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1471|1490|1688|1766|1768|1811|2528|2546|2551|2662|105016|160442|236641|236642|236937|236938|236972|236973|237560|237561|237954|237955|237956|238117|238198|242819|249503|249504|249505|249506|249507|249508|249509|260513|260514|260515|260516|260517|260518|263207|263208|263209|269303|269304|269310|269311|269312|269313|2693... | 20050624 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acmec Biochemical|Activate Scientific|Active Biopharma|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Als... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors|C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor|J - Antiinfectives for systemic use > J05 - Antivirals for systemic use ... |
6293 | Alizarin | Alizarin|72-48-0|Alizarin Red|1,2-dihydroxyanthracene-9,10-dione|Mordant Red 11|1,2-Dihydroxyanthraquinone|Alizarin B|Turkey Red|1,2-Dihydroxy-9,10-anthracenedione|ALIZARINE|1,2-Anthraquinonediol|Alizarina|Alizarine Red|Eljon Madder|Alizarine B|Alizarine NAC|Alizarine Red B|Alizarine Red L|Alizerine NAC|Eljon Madder M|... | 240.210 | C14H8O4 | 74.600 | 378.000 | 3.200 | 18 | 2 | 4 | 0 | InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O | RGCKGOZRHPZPFP-UHFFFAOYSA-N | 1,2-dihydroxyanthracene-9,10-dione | 240.042 | 240.042 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 11081 | 94727 | 39588 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 16 | 1|3|5|7|9|13|15|17|19|21|23|25|27|31|33|35|39|45|47|49|51|53|55|57|59|61|65|67|69|71|73|77|79|81|99|101|105|107|109|113|115|119|121|123|129|131|133|137|139|141|143|145|155|157|161|165|167|175|179|256|608|875|880|881|884|885|887|889|892|893|894|900|901|902|910|923|924|927|930|940|995|1030|1033|1379|1422|1452|1454|1457|1... | 20040916 | 001Chemical|3B Scientific (Wuhan) Corp|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Accela ChemBio Inc.|Achemica|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Activate Scientific|Adooq ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials |
464205 | Tenofovir | Tenofovir|147127-20-6|(R)-9-(2-Phosphonomethoxypropyl)adenine|PMPA|(R)-PMPA|Truvada|tenofovir (anhydrous)|PMPA gel|(R)-(((1-(6-AMINO-9H-PURIN-9-YL)PROPAN-2-YL)OXY)METHYL)PHOSPHONIC ACID|Tenofovir gel|anhydrous tenofovir|Tenofovir anhydrous|tenofovir (anh.)|TFV gel|GS-1275|Apropovir|PMP-A|CHEBI:63625|anh. tenofovir|UNII... | 287.210 | C9H14N5O4P | 136.000 | 354.000 | -1.600 | 19 | 3 | 8 | 5 | InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1 | C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O | CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O | SGOIRFVFHAKUTI-ZCFIWIBFSA-N | [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid | 287.078 | 287.078 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 6678 | 29104 | 6901 | 2D+3D | Tenofovir | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1471|1490|1688|1766|1768|2528|2546|2551|2662|3059|10054|45994|47262|47263|47278|55965|72026|72409|72410|81263|82134|83112|83255|95008|98126|105555|105556|125503|142453|147626|211496|211497|275065|275077|275078|275079|275080|275081|275082|275083|275084|275085|275090|289141|289142|289143|289144|289145|289146|310043|31004... | 20050801 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acesobio|Achemtek|Acorn PharmaTech Product List|Activate Scientific|Active Biopharma|Adooq BioScience|AEchem Scienti... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C254 - Anti-Infective Agent > C281 - Antiviral Agent|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors|D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors|C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside... |
468595 | Posaconazole | Posaconazole|171228-49-2|Noxafil|Sch 56592|SCH-56592|Posaconazole SP|SCH56592|Schering 56592|4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one|(-)-POSACONAZOLE|UNII-6TK1G07BHZ|6TK1G07BHZ|4-(4-(4-... | 700.800 | C37H42F2N8O4 | 112.000 | 1170.000 | 4.600 | 51 | 1 | 11 | 12 | InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1 | CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F | CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F | RAGOYPUPXAKGKH-XAKZXMRKSA-N | 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one | 700.33 | 700.33 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 5595 | 8147 | 2054 | 2D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 258671|258672|259824|259825|259830|278433|278434|278435|278437|278438|278439|278440|278442|278445|278446|278449|278450|278453|278455|278457|278458|278461|278463|278465|278467|278469|278471|278473|278475|279038|279039|279040|279041|279042|279043|279044|279045|279046|279047|279048|279049|279050|279051|279052|279053|27905... | 20050801 | 001Chemical|10X CHEM|1st Scientific|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Aceschem Inc|Acesobio|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Al... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AC - Triazole and tetrazole derivatives|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors|D004791 - Enzyme Inhibit... |
40632 | Pirfenidone | PIRFENIDONE|53179-13-8|5-methyl-1-phenylpyridin-2(1H)-one|Esbriet|Deskar|Pirespa|AMR-69|5-Methyl-1-phenyl-2-(1H)-pyridone|Pirfenidona|Pirfenidonum|2(1H)-Pyridinone, 5-methyl-1-phenyl-|5-methyl-1-phenyl-2(1H)-pyridinone|AMR 69|5-Methyl-1-phenyl-2(1H)-pyridone|5-Methyl-1-phenyl-1H-pyridin-2-one|5-methyl-1-phenyl-2-pyridi... | 185.220 | C12H11NO | 20.300 | 285.000 | 1.900 | 14 | 0 | 1 | 1 | InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3 | CC1=CN(C(=O)C=C1)C2=CC=CC=C2 | CC1=CN(C(=O)C=C1)C2=CC=CC=C2 | ISWRGOKTTBVCFA-UHFFFAOYSA-N | 5-methyl-1-phenylpyridin-2-one | 185.084 | 185.084 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3003 | 16303 | 3542 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 357|410|411|422|429|436|444|445|446|447|448|450|451|526|530|547|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|662|694|732|875|879|880|881|883|884|885|886|887|889|891|892|893|894|895|899|900|901|902|912|914|915|917|918|923|924|925|926|927|928|938|940|943|944|945|954|957|958|959|992|995|997|998|1030|137... | 20050624 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemica|Achemo Scientific Limited|Acmec Biochemical|Acorn Phar... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic|D018501 - Antirheumatic Agents|L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants|D000970 - Antineoplastic Agents|D002491 - Central Nervous System Agents > D000700 - Analge... |
216326 | Lenalidomide | Lenalidomide|191732-72-6|Revlimid|Revimid|3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione|CC-5013|CDC 501|CDC-501|Lenalidomide (CC-5013)|3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione|2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-|IMiD3|CC 5013|3-(7-amino-3-oxo-1H-isoindol... | 259.260 | C13H13N3O3 | 92.500 | 437.000 | -0.500 | 19 | 2 | 4 | 1 | InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18) | C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N | C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N | GOTYRUGSSMKFNF-UHFFFAOYSA-N | 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione | 259.096 | 259.096 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 10336 | 39600 | 8229 | 2D+3D | Lenalidomide | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 1|3|5|7|9|13|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|65|67|71|73|77|79|81|83|85|89|91|93|95|97|99|101|103|105|107|109|113|115|119|121|123|125|129|131|133|137|139|141|143|145|1471|1490|1688|1766|1768|2528|2546|2551|2662|159803|215443|215445|215453|257636|327396|327397|327398|327399|327400|327401|327402|... | 20050809 | 001Chemical|10X CHEM|1st Scientific|3WAY PHARM INC|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Aceschem Inc|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Active B... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors|D007155 - Immunologic Factors|D006133 - Growth Substances > D006131 - Growth Inhibitors|C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C157388 - Immunomodulatory Imide Drug|L - Antineoplastic and immunomodulating age... |
4369359 | Sitagliptin | Sitagliptin|486460-32-6|Xelevia|MK-0431|(R)-3-AMINO-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE|LEZ763|Tesavel|sitagliptina|sitagliptine|sitagliptinum|Zituvio|UNII-QFP0P1DV7Z|QFP0P1DV7Z|(3R)-3-AMINO-1-[3-(TRIFLUOROMETHYL)-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,... | 407.310 | C16H15F6N5O | 77.000 | 566.000 | 0.700 | 28 | 1 | 10 | 4 | InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 | C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N | C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N | MFFMDFFZMYYVKS-SECBINFHSA-N | (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one | 407.118 | 407.118 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 2252 | 26946 | 5459 | 2D+3D | Sitagliptin Phosphate | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 1811|2240|2241|2275|2313|2322|2330|273979|296027|296028|296029|296030|296031|296092|296093|296094|296095|296096|296097|296098|299379|299380|299381|299382|299383|309579|309583|309584|309585|309586|309587|309588|309589|309590|309591|309592|309593|309594|342284|342285|342289|342290|342291|343972|343973|343974|343975|34930... | 20050624 | 001Chemical|10X CHEM|3A SpeedChemical Inc|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Aceschem Inc|Acesobio|Achemo Scientific Limited|Ache... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors|D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors|C471 - Enzyme Inhibitor > C783 - Protease Inhibitor|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D054795 - Incretins|A - Alimentary tract an... |
4943 | Propofol | propofol|2,6-DIISOPROPYLPHENOL|2078-54-8|Diprivan|Disoprofol|Disoprivan|Fresofol|Diisopropylphenol|Ampofol|2,6-Bis(1-methylethyl)phenol|Rapinovet|Propofolum|Phenol, 2,6-bis(1-methylethyl)-|Recofol|Ivofol|Pofol|Propofol-Lipuro|Diprifusor|Diprofol|Propovan|2,6-di(propan-2-yl)phenol|ICI 35868|Phenol, 2,6-diisopropyl-|2,6-... | 178.270 | C12H18O | 20.200 | 135.000 | 3.800 | 13 | 1 | 1 | 2 | InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3 | CC(C)C1=C(C(=CC=C1)C(C)C)O | CC(C)C1=C(C(=CC=C1)C(C)C)O | OLBCVFGFOZPWHH-UHFFFAOYSA-N | 2,6-di(propan-2-yl)phenol | 178.136 | 178.136 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 48100 | 34053 | 9670 | 2D+3D | Propofol | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 155|157|161|165|167|175|179|357|410|411|421|422|426|427|429|433|434|435|436|444|445|446|447|448|450|451|526|530|540|541|542|543|544|545|546|547|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|654|655|656|657|658|659|660|661|662|663|664|665|666|667|694|732|875|879|880|881|883|884|885|886|887|889|891|892|... | 20050325 | 3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|Abbott Labs|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|Acadechem|Accela ChemBio Inc.|Achemica|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic|N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives|D002491 - Central Nervous System Agents > D002492 - Cen... |
158781 | Olmesartan | Olmesartan|144689-24-7|Olmesartan Acid|RNH-6270|omesartan|RNH 6270|1-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid|UNII-8W1IQP3U10|CS-088|NSC-759810|8W1IQP3U10|CHEBI:48416|HSDB 8214|CHEMBL1516|1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylet... | 446.500 | C24H26N6O3 | 130.000 | 656.000 | 3.200 | 33 | 3 | 7 | 8 | InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29) | CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O | CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O | VTRAEEWXHOVJFV-UHFFFAOYSA-N | 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid | 446.207 | 446.207 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 903 | 12388 | 2794 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 485|631|731|781|782|880|950|951|952|1001|1006|1007|1008|1009|1012|1016|1018|1019|1020|1021|1022|1027|1032|1040|1048|1049|1051|1066|1085|1135|1136|1203|1209|1214|1216|1217|1220|1222|1229|1236|1251|1274|1304|1321|1325|1359|1362|1376|1385|1415|1416|1422|1423|1424|1434|1439|1440|1441|1443|1445|1446|1448|1454|1456|1460|1461... | 20050808 | 1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acesobio|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AHH... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers|D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents|C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist|COVID-19|COVID19|Coronavirus|Cor... |
1738 | Homovanillic Acid | Homovanillic acid|306-08-1|4-Hydroxy-3-methoxyphenylacetic acid|2-(4-hydroxy-3-methoxyphenyl)acetic acid|Benzeneacetic acid, 4-hydroxy-3-methoxy-|Vanillacetic acid|Vanilacetic acid|3-Methoxy-4-hydroxyphenylacetic acid|Homovanillate|4-Hydroxy-3-methoxybenzeneacetic acid|(4-HYDROXY-3-METHOXYPHENYL)ACETIC ACID|HVA|Homovan... | 182.170 | C9H10O4 | 66.800 | 181.000 | 0.400 | 13 | 2 | 4 | 3 | InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) | COC1=C(C=CC(=C1)CC(=O)O)O | COC1=C(C=CC(=C1)CC(=O)O)O | QRMZSPFSDQBLIX-UHFFFAOYSA-N | 2-(4-hydroxy-3-methoxyphenyl)acetic acid | 182.058 | 182.058 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 11663 | 12264 | 3289 | 2D+3D | Homovanillic Acid | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biolo... | 16 | 155|157|161|165|167|175|357|410|411|422|429|436|444|445|446|447|448|450|451|526|530|547|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|662|694|732|781|782|798|800|873|875|879|880|881|883|884|885|886|887|889|891|892|893|894|895|899|900|901|902|912|914|915|917|918|923|924|925|926|927|928|938|940|943|944|... | 20050325 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Accela ChemBio Inc.|Aceschem Inc|Achemica|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank |
6918296 | Dutasteride | Dutasteride|164656-23-9|Avodart|Avolve|GG-745|Duastride|GI 198745|GI-198745|UNII-O0J6XJN02I|O0J6XJN02I|NSC-740477|DTXSID8046452|CHEBI:521033|(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide|NSC-759880|(5a... | 528.500 | C27H30F6N2O2 | 58.200 | 964.000 | 5.400 | 37 | 2 | 8 | 2 | InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C | CC12CCC3C(C1CCC2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CCC5C3(C=CC(=O)N5)C | JWJOTENAMICLJG-QWBYCMEYSA-N | (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide | 528.221 | 528.221 | 0 | 1 | 0 | 7 | 7 | 0 | 0 | 0 | 0 | 2212 | 11976 | 2597 | 2D+3D | Dutasteride | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 311524|588834|589039|591082|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|651631|651632|651633|651634|652048|652051|686978|686979|720516|720532|720533|720552|720634|720635|720637|720674|720675|720678|720679|720680|720681|720682|720683|720684|720685|720686|720687|72069... | 20060728 | 001Chemical|10X CHEM|1st Scientific|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Allbio Pharm C... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors|D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058891 - 5-alpha Reductase Inhibitors|C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Ant... |
135415867 | Azilsartan | Azilsartan|147403-03-0|TAK-536|TAK 536|UNII-F9NUX55P23|F9NUX55P23|TAK536|CHEBI:68850|HSDB 8208|Azilsartan (TAK-536)|CHEMBL57242|1H-Benzimidazole-7-carboxylic acid, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-|DTXSID70163712|2-ethoxy-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl... | 456.400 | C25H20N4O5 | 115.000 | 783.000 | 4.400 | 34 | 2 | 7 | 7 | InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32) | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O | CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O | KGSXMPPBFPAXLY-UHFFFAOYSA-N | 2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid | 456.143 | 456.143 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 314 | 3706 | 1009 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 2063|16032|18611|23226|23686|26605|39030|39039|173981|181931|181935|183452|183720|183721|197344|568788|568922|1259398|1259399|1259416|1259421|1259423|1296008|1296009|1345084|1346986|1346987|1346995|1347055|1347080|1347159|1347160|1409598|1409605|1479145|1479147|1479149|1479150|1508586|1508601|1508620|1640020|1645758|16... | 20190115 | 10X CHEM|1st Scientific|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|AbaChemScene|abcr GmbH|AbMole Bioscience|AbovChem LLC|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Adooq BioScience|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solut... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials |
2157 | Amiodarone | amiodarone|1951-25-3|Cordarone|Amiodarona|Amiodaronum|Amjodaronum|Amiodaronum [INN-Latin]|Amiodarona [INN-Spanish]|L 3428|2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuran|2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran|UNII-N3RQ532IUT|EINECS 217-772-1|N3RQ532IUT|2-Butyl-3-benzofuranyl... | 645.300 | C25H29I2NO3 | 42.700 | 547.000 | 7.600 | 31 | 0 | 4 | 11 | InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I | IYIKLHRQXLHMJQ-UHFFFAOYSA-N | (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone | 645.024 | 645.024 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 26611 | 33072 | 7430 | 2D+3D | Amiodarone | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 357|410|411|444|445|446|447|448|450|451|526|530|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|662|875|879|880|881|883|884|885|886|887|889|891|892|893|894|895|899|900|901|902|912|914|915|917|918|923|924|925|926|927|928|938|943|944|945|954|957|958|959|992|995|997|998|1030|1195|1332|1379|1452|1454|1457|1... | 20040916 | 10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|ACT Chemical|Activate Scientific|AEchem Scientifi... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors|D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450... |
92727 | Lopinavir | Lopinavir|192725-17-0|Aluviran|ABT-378|Koletra|ABT 378|A-157378.0|A 157378.0|Lopinavirum|CHEBI:31781|Lopinavir-|A-157378-0|RS-346|DTXSID8046456|UNII-2494G1JF75|HSDB 8138|Lopinavir, (s-(2s,4s,5s))-|(2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-... | 628.800 | C37H48N4O5 | 120.000 | 940.000 | 5.900 | 46 | 4 | 5 | 15 | InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1 | CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O | CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O | KJHKTHWMRKYKJE-SUGCFTRWSA-N | (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide | 628.362 | 628.362 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 7734 | 29692 | 6358 | 2D | Lopinavir | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1471|1490|1688|1766|1768|1811|2528|2546|2551|2662|13678|21894|28092|104835|105346|105401|105589|106953|106958|160461|162683|162693|162704|163477|238043|238682|239809|239810|239819|242866|242868|242869|242932|242933|246160|246193|246194|246195|246225|246965|247984|248098|248545|248546|248600|249499|257269|257270|257271|... | 20050601 | 10X CHEM|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbovChem LLC|Acesobio|Achemtek|Acmec Biochemical|Adooq BioScience|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Amadis Chemical|Ambeed|AN PharmaTech|AOBIOUS INC|ApexBio Technology|Assembly Blocks Pvt. Ltd.|AstaTech, Inc... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors|C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibito... |
148192 | Atazanavir | Atazanavir|198904-31-3|Latazanavir|Zrivada|Reyataz|BMS-232632|atazanavirum|CGP 73547|CGP-73547|HSDB 7339|UNII-QZU4H47A3S|ATV|QZU4H47A3S|Atazanavir (INN)|BMS 232632|DTXSID9048691|CHEBI:37924|Reyataz (TN)|CHEMBL1163|methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phe... | 704.900 | C38H52N6O7 | 171.000 | 1110.000 | 5.600 | 51 | 5 | 9 | 18 | InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1 | CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC | CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC | AXRYRYVKAWYZBR-GASGPIRDSA-N | methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate | 704.39 | 704.39 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 1690 | 24105 | 4855 | 2D | Atazanavir Sulfate | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1811|20788|28083|81426|81427|81430|81431|81433|81615|81616|106906|106913|124202|124203|198568|238043|238682|239809|239810|239819|242866|242868|242869|242932|242933|246160|246193|246195|246225|246319|246965|248545|248546|248600|249499|263207|263208|263209|278953|278954|278955|278956|278957|278958|278959|278960|278961|27... | 20050624 | 001Chemical|10X CHEM|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acesobio|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|ACT Chemical|Active Biopharma|Adooq BioScience|AK Scientific, Inc. (AKSCI)|AKos Consulting & Soluti... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors|C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor|J - Antiinfectives for systemic use > J05 - Antivirals for systemic use ... |
11167602 | Regorafenib | Regorafenib|755037-03-7|BAY 73-4506|Stivarga|4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-methylpicolinamide|Regorafenibum|BAY73-4506|Regorafenib (BAY 73-4506)|BAY-73-4506|4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide|UNII-24T2A1DOY... | 482.800 | C21H15ClF4N4O3 | 92.400 | 686.000 | 4.200 | 33 | 3 | 8 | 5 | InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32) | CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F | CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F | FNHKPVJBJVTLMP-UHFFFAOYSA-N | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide | 482.077 | 482.077 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3477 | 12021 | 3121 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1|3|5|7|9|13|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|65|67|71|73|77|79|81|83|85|89|91|93|95|97|99|101|103|105|107|109|113|115|119|121|123|125|129|131|133|137|139|141|143|145|624476|624478|624479|643994|643995|651645|651646|651696|651712|651713|686947|686950|743244|743322|743323|743324|743344|743345|743... | 20061026 | 001Chemical|10X CHEM|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|AbMole Bioscience|AbovChem LLC|Acesobio|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|Activate Scientific|Active Biopharma|Adooq BioScience... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor|C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor|C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor|L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors|C274 - Antineoplasti... |
2353 | Berberine | berberine|2086-83-1|Umbellatine|Berberin|Berbericine|Majarine|Thalsine|Umbellatin|Berberone|0I8Y3P32UF|CHEBI:16118|Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-|EINECS 218-229-1|BRN 3570374|UNII-0I8Y3P32UF|Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-|9,10-Dimet... | 336.400 | C20H18NO4+ | 40.800 | 488.000 | 3.600 | 25 | 0 | 4 | 2 | InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC | YBHILYKTIRIUTE-UHFFFAOYSA-N | 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene | 336.124 | 336.124 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4359 | 20250 | 7894 | 2D+3D | Berberine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 16 | 357|410|411|444|445|446|447|448|450|451|526|530|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|608|662|875|880|881|883|884|885|886|887|889|891|892|893|894|899|900|901|902|912|914|915|923|924|925|926|927|938|995|999|1004|1030|1033|1332|1379|1452|1454|1457|1458|1460|1463|1467|1468|1469|1471|1476|1477|147... | 20040916 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Accela ChemBio Inc.|Achemo Sci... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials |
6267 | Asparagine | L-asparagine|asparagine|70-47-3|(S)-asparagine|Aspartamic acid|H-Asn-OH|agedoite|altheine|Asparamide|Crystal VI|asparagine acid|(S)-2,4-diamino-4-oxobutanoic acid|Asparagine, L-|(-)-asparagine|L-Asparagine anhydrous|2-Aminosuccinamic acid|L-Aspartamine|alpha-aminosuccinamic acid|L-2,4-diamino-4-oxobutanoic acid|asparti... | 132.120 | C4H8N2O3 | 106.000 | 134.000 | -3.400 | 9 | 3 | 4 | 3 | InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 | C([C@@H](C(=O)O)N)C(=O)N | C(C(C(=O)O)N)C(=O)N | DCXYFEDJOCDNAF-REOHCLBHSA-N | (2S)-2,4-diamino-4-oxobutanoic acid | 132.053 | 132.053 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 33945 | 29266 | 11024 | 2D+3D | Asparagine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxon... | 16 | 26797|80832|80836|233320|681113|1117326|1117329|1117336|1117340|1117341|1117342|1117343|1117346|1397319|1397320|1397321|1397322|1409598|1425568|1425569|1425571|1425575|1425576|1425577|1425582|1425584|1640020|1645758|1645840|1645841|1645842|1794731|1794732|1794733|1794735|1794736|1794739|1794740|1794742|1794745|1794746|... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank |
2083 | Albuterol | Salbutamol|albuterol|18559-94-9|Proventil|Ventoline|Broncovaleas|dl-Albuterol|dl-Salbutamol|Salbutamolum|Asthalin|Cobutolin|Salbulin|Salbuvent|Saventol|Aerolin|Asmaven|Spreor|Asmol|Ventolin Inhaler|Sultanol|Sultanol N|Ventolin|Proventil HFA|Volmax|Butohaler|Butovent|Dilatamol|Farcolin|Gerivent|Grafalin|Libretin|Novosal... | 239.310 | C13H21NO3 | 72.700 | 227.000 | 0.300 | 17 | 4 | 4 | 5 | InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 | CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O | CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O | NDAUXUAQIAJITI-UHFFFAOYSA-N | 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol | 239.152 | 239.152 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 23792 | 94116 | 19599 | 2D+3D | Albuterol | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 377|422|429|436|547|694|732|880|894|940|1030|1189|1195|1208|1332|1379|1422|1454|1457|1458|1459|1460|1461|1463|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1519|1580|1581|1582|1583|1584|1585|1586|1587|1588|1589|1590|1593|1594|1595|1596|1597|1598|1599|1600|1601|1602|1603|1604|1605|1606|1607|1608|1609|1610|1612|1613|... | 20050325 | 001Chemical|10X CHEM|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Activate Scientific|Adooq BioScience|AEchem... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents|C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist|D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents|D018377 - Neurotransmitter Agents > D018663 - ... |
5281037 | Eprosartan | Eprosartan|133040-01-4|Teveten|SK&F 108566|SK&F-108566|(E)-2-Butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid|(E)-4-((2-Butyl-5-(2-carboxy-3-(thiophen-2-yl)prop-1-en-1-yl)-1H-imidazol-1-yl)methyl)benzoic acid|CHEMBL813|SK-108566|2KH13Z0S0Y|CHEBI:4814|(E)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1H-imida... | 424.500 | C23H24N2O4S | 121.000 | 618.000 | 4.500 | 30 | 2 | 6 | 10 | InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+ | CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O | CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O | OROAFUQRIXKEMV-LDADJPATSA-N | 4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid | 424.146 | 424.146 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 905 | 24585 | 4577 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 880|1195|1469|1471|1479|1487|1490|1688|1766|1768|2063|2528|2546|2551|2662|23918|27037|27862|29138|37697|37701|37819|37820|38126|38128|39050|39361|39513|39652|39791|58635|62403|166941|166943|166944|182790|182791|182944|183461|183596|183608|190642|196519|236277|237099|237841|237981|239885|243379|247113|320852|425652|4256... | 20050624 | 001Chemical|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbovChem LLC|Acesobio|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|A... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09C - Angiotensin ii receptor blockers (arbs), plain > C09CA - Angiotensin ii receptor blockers (arbs), plain|D057911 - Angiotensin Receptor Antagonists > D057912 - Angiotensin II Type 2 Receptor Blockers|D002317 - Cardiovascular Agents ... |
10281 | Thymoquinone | Thymoquinone|490-91-5|Thymoquinon|p-Cymene-2,5-dione|2-Isopropyl-5-methyl-1,4-benzoquinone|p-Mentha-3,6-diene-2,5-dione|2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHYL-5-(1-METHYLETHYL)-|2-Isopropyl-5-methylbenzoquinone|2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione|2-Isopropyl-5-methyl-p-benzoquinone|2-Isopropyl-5-methylben... | 164.200 | C10H12O2 | 34.100 | 293.000 | 2.000 | 12 | 0 | 2 | 1 | InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3 | CC1=CC(=O)C(=CC1=O)C(C)C | CC1=CC(=O)C(=CC1=O)C(C)C | KEQHJBNSCLWCAE-UHFFFAOYSA-N | 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione | 164.084 | 164.084 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2204 | 1355 | 584 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Act... | 16 | 155|157|161|165|167|175|256|328|330|576630|576631|576632|576633|576634|576635|697852|697853|977599|977602|977608|1067093|1079960|1079961|1079962|1091064|1091065|1091066|1091067|1091068|1091069|1091070|1091071|1091072|1091073|1091074|1091075|1091076|1091077|1091078|1091079|1091080|1091081|1091082|1091083|1091084|1091085... | 20050326 | 001Chemical|10X CHEM|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Achemtek|Acorn PharmaTech Product List|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solut... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from DrugBank |
5281426 | Umbelliferone | Umbelliferone|7-hydroxycoumarin|93-35-6|7-Hydroxy-2H-chromen-2-one|Hydrangin|Skimmetin|7-hydroxycoumarine|Hydrangine|Skimmetine|7-Oxycoumarin|Umbelliferon|2H-1-Benzopyran-2-one, 7-hydroxy-|7-hydroxy coumarin|7-Hydroxy-2H-1-benzopyran-2-one|beta-Umbelliferone|Coumarin, 7-hydroxy-|7-hydroxychromen-2-one|7 HC|7-hydroxy-co... | 162.140 | C9H6O3 | 46.500 | 222.000 | 1.600 | 12 | 1 | 3 | 0 | InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H | C1=CC(=CC2=C1C=CC(=O)O2)O | C1=CC(=CC2=C1C=CC(=O)O2)O | ORHBXUUXSCNDEV-UHFFFAOYSA-N | 7-hydroxychromen-2-one | 162.032 | 162.032 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3315 | 61938 | 14828 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Act... | 16 | 1|3|5|9|13|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|65|67|71|73|77|79|81|83|85|87|89|91|93|95|97|99|101|103|105|107|109|113|119|123|125|129|131|133|137|139|141|143|145|155|157|161|165|167|175|179|256|344|608|875|880|881|884|885|887|889|892|893|894|900|902|910|923|924|927|930|940|995|1030|1033|1379|1422|... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank |
43672 | Piperacillin | piperacillin|61477-96-1|Pipracil|Piperacillin anhydrous|Piperacilline|Piperacillin [INN]|PIPC|Piperacillina|PIPERACILLIN SODIUM|Piperacillin hydrate|Piperacillin (INN)|CHEBI:8232|(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]h... | 517.600 | C23H27N5O7S | 182.000 | 982.000 | 0.500 | 36 | 3 | 8 | 6 | InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1 | CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O | CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O | IVBHGBMCVLDMKU-GXNBUGAJSA-N | (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | 517.163 | 517.163 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 3904 | 44519 | 16861 | 2D+3D | Piperacillin | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 16 | 1195|2240|2241|2275|2313|2322|2330|33217|40322|43730|43897|43898|52956|52957|65041|66069|66130|66133|67553|67554|67555|67558|67559|67560|67561|67562|67713|67714|67715|67716|68362|68363|68364|68374|68375|68376|68377|68396|68397|68398|68399|68693|68828|68837|68838|68839|68840|68841|68842|68870|68871|68872|68873|68874|688... | 20050624 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acorn PharmaTech Product List|Activate Scientific|AEchem Scientific... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial ... |
5493444 | Aliskiren | Aliskiren|173334-57-1|Rasilez|SPP100|SPP 100|Aliskiren(CGP 60536)|UNII-502FWN4Q32|CGP60536B|HSDB 7843|SPP-100|Aliskiren fumarate|CHEBI:601027|502FWN4Q32|CGP-060536B|CHEMBL1639|(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonan... | 551.800 | C30H53N3O6 | 146.000 | 717.000 | 3.500 | 39 | 4 | 7 | 19 | InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N | CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N | UXOWGYHJODZGMF-QORCZRPOSA-N | (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide | 551.393 | 551.393 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 2385 | 8970 | 1829 | 2D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 350855|353146|371780|371781|371790|434000|434001|434151|434152|434153|452689|452690|452691|452692|452693|452694|452695|452696|452697|452706|452709|452710|452711|452712|452713|452714|452717|537695|537702|537703|537713|537726|537727|537728|551763|551764|601098|602332|608695|624030|624170|624172|624173|625279|625280|62528... | 20050809 | 001Chemical|10X CHEM|1st Scientific|3WAY PHARM INC|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scienti... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09X - Other agents acting on the renin-angiotensin system > C09XA - Renin-inhibitors|C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|... |
4671 | Palmitoylethanolamide | Palmitoylethanolamide|Palmidrol|544-31-0|N-(2-Hydroxyethyl)hexadecanamide|Palmitoyl ethanolamide|Palmitamide MEA|Impulsin|N-(2-Hydroxyethyl)palmitamide|N-palmitoylethanolamine|Hydroxyethylpalmitamide|Palmitic acid monoethanolamide|Loramine P 256|Palmitoyl-EA|palmitylethanolamide|Palmidrolum|HEXADECANAMIDE, N-(2-HYDROXY... | 299.500 | C18H37NO2 | 49.300 | 219.000 | 6.200 | 21 | 2 | 2 | 16 | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21) | CCCCCCCCCCCCCCCC(=O)NCCO | CCCCCCCCCCCCCCCC(=O)NCCO | HXYVTAGFYLMHSO-UHFFFAOYSA-N | N-(2-hydroxyethyl)hexadecanamide | 299.282 | 299.282 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1541 | 5275 | 1722 | 2D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biolo... | 16 | 248|328|330|357|410|411|422|429|436|444|445|446|447|448|450|451|526|530|547|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|662|694|732|875|879|880|881|883|884|885|886|887|889|891|892|893|894|895|899|900|901|902|912|914|915|917|918|923|924|925|926|927|928|938|940|943|944|945|954|957|958|959|992|995|997|... | 20050325 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Ace Therapeutics|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Ali... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic|D018501 - Antirheumatic Agents|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents|D... |
441336 | Mometasone Furoate | mometasone furoate|83919-23-7|Asmanex|Nasonex|Danitin|Ecural|Elomet|Elocon|Elocone|Flumeta|Nosorex|Rimelon|Monovo|Ovixan|Sinuva|Asmanex HFA|Sch 32088|Mometasone furoate anhydrous|mometasone 17-furoate|Mometasone fuorate|NSC-746171|UNII-04201GDN4R|LYR210|Sch-32088|DTXSID4023333|CHEBI:47564|LYR-210|04201GDN4R|LAS 41002|N... | 521.400 | C27H30Cl2O6 | 93.800 | 1020.000 | 3.900 | 35 | 1 | 6 | 5 | InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C | CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C | WOFMFGQZHJDGCX-ZULDAHANSA-N | [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate | 520.142 | 520.142 | 0 | 1 | 0 | 8 | 8 | 0 | 0 | 0 | 0 | 2660 | 32901 | 6334 | 2D+3D | Mometasone Furoate | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 377|1195|1332|1850|1863|1899|1903|1906|1947|1950|1962|1974|1987|2016|2023|2025|2029|2052|2057|2066|2099|2101|2129|2130|2174|2177|2234|2235|2240|2241|2275|2280|2300|2313|2316|2322|2330|2358|2360|2380|2391|2435|2445|2462|2517|2520|2521|2524|2540|2544|2557|2599|2606|2629|2650|2661|2676|2685|2690|2716|2717|2718|2751|2796|2... | 20050624 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid|D018926 - Anti-Allergic Agents|D003879 - Dermatologic Agents|C29629 - Combination Medication > C29639 - Topical Preparation > C... |
3827 | Ketotifen | ketotifen|34580-13-7|Ketotifene|Ketotifeno|Ketotifenum|Zaditor|Ketotifene [INN-French]|Ketotifenum [INN-Latin]|Ketotifeno [INN-Spanish]|HC 20-511|HSDB 7283|EINECS 252-099-7|Ketotifen (INN)|BRN 3983897|4,9-Dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one|DTXSID7023190|UNII-X49220T18... | 309.400 | C19H19NOS | 48.600 | 476.000 | 3.200 | 22 | 0 | 3 | 0 | InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3 | CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1 | CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1 | ZCVMWBYGMWKGHF-UHFFFAOYSA-N | 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one | 309.119 | 309.119 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3027 | 29332 | 6512 | 2D+3D | Ketotifen | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 357|410|411|444|445|446|447|448|450|451|526|530|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|662|875|879|880|881|883|884|885|886|887|889|891|892|893|894|895|899|900|901|902|912|914|915|917|918|923|924|925|926|927|928|938|943|944|945|954|957|958|959|992|995|997|998|1030|1195|1332|1379|1452|1454|1457|1... | 20050325 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Achemtek|Acmec Biochemical|Activate Scientific|AEchem Scientific Corp., USA|A... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics|D018926 - Anti-Allergic Agents|C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist|D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists|R - Respiratory system > R06 - A... |
637517 | Elaidic Acid | Elaidic acid|112-79-8|trans-Oleic acid|trans-9-Octadecenoic acid|(E)-octadec-9-enoic acid|9-octadecenoic acid|(E)-Oleic acid|9-Octadecenoic acid, (E)-|9-octadecenoic acid, (9E)-|trans-Elaidic acid|trans-Octadec-9-enoic acid|(9E)-octadec-9-enoic acid|Elaidinsaeure|Elaidinsaure|acide elaidique|Elaidinic acid|(9E)-Octadec... | 282.500 | C18H34O2 | 37.300 | 234.000 | 6.500 | 20 | 1 | 2 | 15 | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+ | CCCCCCCC/C=C/CCCCCCCC(=O)O | CCCCCCCCC=CCCCCCCCC(=O)O | ZQPPMHVWECSIRJ-MDZDMXLPSA-N | (E)-octadec-9-enoic acid | 282.256 | 282.256 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 2295 | 414362 | 146590 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Act... | 16 | 155|157|161|165|167|175|1811|32788|361445|977611|1159978|1259325|1259374|1347080|1479145|1479147|1479149|1479150|1508601|1508602|1519391|1519392|1519393|1519394|1519395|1519396|1519397|1519398|1519399|1621005|1621012|1621057|1621058|1621059|1621060|1621061|1621063|1621064|1621065|1621081|1640020|1645758|1645838|1645845... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|Acadechem|Aceschem Inc|Achemtek|Acmec Biochemical|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Amadis Chemica... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank |
2973 | Deferoxamine | deferoxamine|Desferrioxamine B|70-51-9|DESFERRIOXAMINE|Deferoxamin|Deferrioxamine|Deferoxamine B|Deferrioxamine B|Deferoxaminum|Desferin|DFOM|Desferan|Desferex|Desferral|Desferrin|N-Benzoylferrioxamine B|DF B|Desferal|Deferoxamide B|DFOA|Deferoxamina|NSC-527604|Ferrioxamine B, N-benzoyl-|Desferriferrioxamin B|Desferoxa... | 560.700 | C25H48N6O8 | 206.000 | 739.000 | -2.100 | 39 | 6 | 9 | 23 | InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34) | CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O | CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O | UBQYURCVBFRUQT-UHFFFAOYSA-N | N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide | 560.353 | 560.353 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 14848 | 26903 | 6161 | 2D | Deferoxamine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 16 | 248|256|1195|1332|2240|2241|2275|2313|2322|2330|15378|15379|16354|16355|16356|16357|16358|16359|16360|16361|16362|16363|16364|16365|28234|28679|28924|28925|31897|31898|31899|51713|51717|72978|95167|116068|116069|116070|116071|119000|126474|126475|127150|127278|141384|143513|179828|179829|179832|181514|186664|186669|186... | 20050325 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Accela ChemBio Inc.|Acmec Biochemical|AEchem Scientific Corp., USA|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solut... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AC - Iron chelating agents|D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, ... |
9926791 | Tofacitinib | Tofacitinib|477600-75-2|Tasocitinib|3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile|CP-690550|CP 690550|1259404-17-5|rac-Tofacitinib|CP-690,550|Cp-690 free base|tofacitinibum|Tofacitinib (CP-690550,Tasocitinib)|3-((3R,4R)-rel-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]py... | 312.370 | C16H20N6O | 88.900 | 488.000 | 1.500 | 23 | 1 | 5 | 3 | InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N | CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N | UJLAWZDWDVHWOW-YPMHNXCESA-N | 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile | 312.17 | 312.17 | 0 | 1 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 4800 | 10111 | 2389 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Biological Test Results: Active|Biological... | 16 | 1|3|5|7|9|15|19|21|23|29|33|35|37|39|43|45|47|49|55|59|65|67|71|73|77|81|83|85|91|93|97|99|101|103|105|107|109|129|131|133|139|141|143|1433|276239|276240|276241|276242|276243|276244|292818|292819|298726|298727|298728|298729|393824|393825|393826|393827|393828|393829|393830|393831|393832|393833|393834|393835|393836|39383... | 20061025 | 001Chemical|10X CHEM|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|AbMole Bioscience|AbovChem LLC|Acesobio|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|Activate Scientific|Active Biopharma|Adooq BioScience|AEchem Scientific Corp., U... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor|L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants|D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors > D000075242 - Jan... |
4192 | Midazolam | midazolam|Dormicum|59467-70-8|Buccolam|Midazolamum|Versed|mezolam|8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine|Midazolamum [INN-Latin]|Midazolam Base|Nayzilam|Midazolam civ|USL261|Ro 21-3981|DEA No. 2884|UNII-R60L0SM5BC|EINECS 261-774-5|R60L0SM5BC|BRN 0625572|CHEBI:6931|USL-261|CHEMBL655|8-... | 325.800 | C18H13ClFN3 | 30.200 | 471.000 | 2.500 | 23 | 0 | 3 | 1 | InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3 | CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F | CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F | DDLIGBOFAVUZHB-UHFFFAOYSA-N | 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine | 325.078 | 325.078 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 39294 | 40921 | 9389 | 2D+3D | Midazolam | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 1195|1471|1490|1688|1766|1768|2528|2546|2551|2662|7783|8002|19468|20881|21850|21851|21852|21855|21857|21859|26380|27167|28681|29359|29812|39933|41742|54923|150751|150752|150753|150754|150755|150756|187598|187601|187603|187604|298031|298032|311524|373867|395324|395325|395327|411793|425652|425653|444050|444051|444052|444... | 20050325 | 3B Scientific (Wuhan) Corp|3WAY PHARM INC|AbaChemScene|ABI Chem|Acadechem|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Amadis Chemical|Ambinter|AN PharmaTech|Aurora Fine Chemicals LLC|BenchChem|BIDD|BindingDB|BioChemPartner|BioCyc|C. ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics|C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent|C78272 - Agent Af... |
92722 | Argatroban | argatroban|74863-84-6|Argatroban anhydrous|MCI-9038|MD-805|(2R,4R)-1-((2S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid|Argipidine|GN-1600|Argatroban Injection|CHEMBL1166|OCY3U280Y3|(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetr... | 508.600 | C23H36N6O5S | 189.000 | 887.000 | 1.300 | 35 | 5 | 8 | 9 | InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1 | C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C | CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C | KXNPVXPOPUZYGB-IOVMHBDKSA-N | (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid | 508.247 | 508.247 | 0 | 1 | 0 | 4 | 3 | 1 | 0 | 0 | 0 | 3511 | 683 | 215 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 485|631|731|781|782|880|950|951|952|1001|1006|1007|1008|1009|1012|1016|1018|1019|1020|1021|1022|1027|1032|1040|1048|1049|1051|1066|1085|1135|1136|1203|1209|1214|1216|1217|1220|1222|1229|1236|1251|1274|1304|1321|1325|1359|1362|1376|1385|1415|1416|1422|1423|1424|1434|1439|1440|1441|1443|1445|1446|1448|1454|1456|1460|1461... | 20050808 | 10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acesobio|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AHH Chemi... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D006401 - Hematologic Agents > D000925 - Anticoagulants > D000991 - Antithrombins|D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors|D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors|C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagul... |
446157 | Rosuvastatin | Rosuvastatin|287714-41-4|Creston|X-Plended|Rosuvastatin calcium|ZD4522|Rosuvastatin [INN]|ZD-4522|UNII-413KH5ZJ73|Rosuvastatin (INN)|CHEBI:38545|HSDB 7317|413KH5ZJ73|CHEMBL1496|6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (3R,5S,6E)-|DTXSID8048... | 481.500 | C22H28FN3O6S | 149.000 | 767.000 | 1.600 | 33 | 3 | 10 | 10 | InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1 | CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C | CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C | BPRHUIZQVSMCRT-VEUZHWNKSA-N | (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid | 481.168 | 481.168 | 0 | 1 | 0 | 2 | 2 | 0 | 1 | 1 | 0 | 3072 | 51112 | 10102 | 2D+3D | Rosuvastatin Calcium | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 940|1422|238540|238872|241168|241793|300167|300168|300169|300170|300172|308508|308509|308510|308511|308512|309282|309283|309284|309285|309287|312172|312173|312174|312175|312176|312177|312178|312180|313843|313844|313910|313911|313912|313913|313914|313915|313916|313918|339211|339212|339213|339214|339215|339216|384740|384... | 20050624 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acesobio|Achemtek|Acorn PharmaTech Product List|Activate Scie... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors|C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent|D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents|C471 - Enzyme Inhibitor > C1655 - HMG-CoA ... |
13789 | Canrenone | CANRENONE|976-71-6|Aldadiene|Phanurane|SC-9376|Spironolactone metabolite m1|DTXSID3045930|78O20X9J0U|Canrenone (USAN)|17-Hydroxy-3-oxo-17alpha-pregna-4,6-diene-21-carboxylic acid gamma-lactone|MFCD00071735|NSC-261713|(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene... | 340.500 | C22H28O3 | 43.400 | 719.000 | 2.700 | 25 | 0 | 3 | 0 | InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1 | C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C | CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C | UJVLDDZCTMKXJK-WNHSNXHDSA-N | (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione | 340.204 | 340.204 | 0 | 1 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 364 | 4569 | 1021 | 2D+3D | Canrenone | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biolo... | 16 | 1490|1511|1527|1529|1530|1531|1554|1556|1565|1566|1578|1621|1654|1656|1662|1663|1672|1700|1706|1721|1722|1766|1768|1777|1778|1779|1789|1800|1813|1814|1817|1822|1825|1832|1845|1850|1861|1863|1868|1875|1885|1903|1910|1961|1979|1984|1986|2006|2012|2013|2014|2016|2023|2025|2029|2052|2058|2066|2071|2073|2094|2097|2098|2099|... | 20050808 | 001Chemical|10X CHEM|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|Achemtek|Acmec Biochemical|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|ApexBio Technology|Ark Pharm, Inc.|Assembl... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists|D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents|D045283 - Natriuretic Agents > D004232 - Diuretics|C - Cardiovascular system > C03 - Diuretics > C03D - Aldos... |
107970 | Fingolimod | Fingolimod|162359-55-9|2-Amino-2-(4-octylphenethyl)propane-1,3-diol|2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol|Fingolimod [INN]|2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol|fingolimodum|1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-|UNII-3QN8BYN5QF|3QN8BYN5QF|CHEBI:63115|1,3-Propanediol, 2-amino-2-(... | 307.500 | C19H33NO2 | 66.500 | 258.000 | 4.200 | 22 | 3 | 3 | 12 | InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3 | CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N | CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N | KKGQTZUTZRNORY-UHFFFAOYSA-N | 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol | 307.251 | 307.251 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3037 | 14244 | 3068 | 2D+3D | Fingolimod Hydrochloride | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Tes... | 16 | 3|5|7|9|13|21|29|31|33|35|37|39|41|43|47|49|55|59|65|67|71|73|77|81|83|85|91|95|99|101|103|107|115|121|123|125|129|131|133|139|141|143|145|132486|132505|173547|185363|185364|185365|185367|185368|185369|185370|185371|185372|185373|192200|240247|240248|240249|240250|240251|258414|258415|268317|268318|282267|282268|282269... | 20050808 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific Inc|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Acesobio|Achemo Scientific Limited|Achemtek|Acmec Bioch... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants|D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents > D000081243 - Sphingosine 1 Phosphate Receptor Modulators|C308 - Immunotherapeutic Agent|COVID-19|COVID19|Coron... |
7381 | 4-tert-Butylcatechol | 4-tert-Butylcatechol|98-29-3|p-tert-Butylcatechol|4-(tert-butyl)benzene-1,2-diol|4-tert-butylbenzene-1,2-diol|4-tert-Butylpyrocatechol|p-tert-Butyl catechol|4-t-Butylpyrocatechol|p-tert-Butylpyrocatechol|4-T-BUTYLCATECHOL|1,2-Benzenediol, 4-(1,1-dimethylethyl)-|4-tert-Butylcatechin|p-t-Butylpyrocatechol|Pyrocatechol, 4... | 166.220 | C10H14O2 | 40.500 | 148.000 | 2.700 | 12 | 2 | 2 | 1 | InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3 | CC(C)(C)C1=CC(=C(C=C1)O)O | CC(C)(C)C1=CC(=C(C=C1)O)O | XESZUVZBAMCAEJ-UHFFFAOYSA-N | 4-tert-butylbenzene-1,2-diol | 166.099 | 166.099 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 491 | 22998 | 9236 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Act... | 16 | 155|157|161|165|167|175|330|421|426|427|433|434|435|445|530|540|541|542|543|544|545|546|584|585|595|596|603|605|654|655|656|657|658|659|660|661|662|663|664|665|666|667|875|880|881|884|885|886|887|889|892|893|894|900|902|912|921|923|924|925|926|938|946|947|948|955|960|961|962|963|964|965|966|967|968|969|970|971|972|973|... | 20050326 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|Acadechem|Achemica|Achemtek|ACT Chemical|Advanced Technology & Industrial Co., Ltd.|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D020011 - Protective Agents > D000975 - Antioxidants|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank |
62882 | Propranolol Hydrochloride | Propranolol hydrochloride|318-98-9|Propranolol Hcl|Inderal|3506-09-0|Avlocardyl|Caridolol|Inderalici|Dociton|Anaprilin|Apsolol|Beprane|Berkolol|Deralin|Herzbase|Indobloc|Naprilin|Pronovan|Pylapron|Sloprolol|Ikopal|Tesnol|Kemi|Beta Neg|InnoPran XL|Propranolol chloride|Propranovitan|Arcablock|Artensol|Blocaryl|Cardinol|D... | 295.800 | C16H22ClNO2 | 41.500 | 257.000 | null | 20 | 3 | 3 | 6 | InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl | CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl | ZMRUPTIKESYGQW-UHFFFAOYSA-N | 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride | 295.134 | 295.134 | 0 | 2 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 34091 | 11913 | 3939 | 2D | Propranolol | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Spectral Information|Biological Test Results: Active|Biological Test Results... | 16 | 155|157|161|165|167|175|179|192|210|212|220|226|256|270|272|274|302|330|421|422|426|427|429|433|434|435|436|445|530|540|541|542|543|544|545|546|547|584|585|595|596|603|605|654|655|656|657|658|659|660|661|662|663|664|665|666|667|694|732|781|782|798|800|873|875|880|881|884|885|886|887|889|892|893|894|900|902|910|912|921|... | 20050624 | 10X CHEM|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|ACT Chemical|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|A... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents|D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents|D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists|C78272 - Agent Affectin... |
9966051 | Vortioxetine | VORTIOXETINE|508233-74-7|1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine|Lu AA21004|1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine|Vortioxetine free base|vortioxetina|vortioxetinum|UNII-3O2K1S3WQV|3O2K1S3WQV|LuAA21004|Lu-AA21004|Vortioxetine [USAN]|1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine|CHEBI:76016|P... | 298.400 | C18H22N2S | 40.600 | 316.000 | 4.200 | 21 | 1 | 3 | 3 | InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 | CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C | CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C | YQNWZWMKLDQSAC-UHFFFAOYSA-N | 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine | 298.15 | 298.15 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 478 | 1933 | 491 | 2D+3D | Vortioxetine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 1259343|1259398|1259399|1259416|1259419|1259421|1259423|1345068|1345170|1345291|1345615|1346264|1346481|1346943|1347060|1347064|1347065|1347067|1347068|1347411|1368106|1368107|1368108|1368109|1368110|1368111|1403534|1403536|1403538|1403539|1403540|1403541|1409605|1479145|1479147|1479149|1479150|1610335|1610337|1610339|... | 20061025 | 001Chemical|10X CHEM|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|AbMole Bioscience|AbovChem LLC|Acadechem|Ace Therapeutics|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors|N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants|C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent|D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D... |
64150 | Amantadine Hydrochloride | Amantadine hydrochloride|665-66-7|1-Adamantanamine hydrochloride|Amantadine HCl|Symmetrel|1-Aminoadamantane hydrochloride|adamantan-1-amine hydrochloride|Adamantanamine hydrochloride|Amazolon|Midantane|Mydantane|Virofral|1-Adamantylamine hydrochloride|Amantan|Influenol|Mantadix|Midantan|Trivaline|Virasol|Symadine|Amant... | 187.710 | C10H18ClN | 26.000 | 144.000 | null | 12 | 2 | 1 | 0 | InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H | C1C2CC3CC1CC(C2)(C3)N.Cl | C1C2CC3CC1CC(C2)(C3)N.Cl | WOLHOYHSEKDWQH-UHFFFAOYSA-N | adamantan-1-amine;hydrochloride | 187.113 | 187.113 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4495 | 5218 | 1487 | 2D | Amantadine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 179|248|282|318|328|422|429|436|485|547|631|694|731|732|757|758|759|760|761|764|775|781|782|793|797|798|799|800|803|804|817|818|827|828|841|861|862|868|871|873|875|878|880|881|884|885|887|889|892|893|894|898|900|902|910|920|923|924|927|930|932|940|950|951|952|995|1001|1006|1007|1008|1009|1012|1016|1018|1019|1020|1021|1... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Acadechem|Ace Therapeutics|Achemica|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents|C254 - Anti-Infective Agent > C281 - Antiviral Agent|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents|D002491 - Central Nervous System Agents > D000700 - Analgesics|D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000... |
10621 | Hesperidin | hesperidin|520-26-3|Cirantin|Hesperidoside|Hesper bitabs|Hesperetin 7-rhamnoglucoside|Hesperetin-rutinosid|Hesperidine|Hesperetin 7-rutinoside|Ciratin|(S)-(-)-Hesperidin|CCRIS 3940|EINECS 208-288-1|(2S)-Hesperidin|NSC 44184|UNII-E750O06Y6O|BRN 0075140|DIOSVEIN|Hesperetin-7-O-rhamnoglucoside|Hesperidin, (2S)-|DTXSID9044... | 610.600 | C28H34O15 | 234.000 | 940.000 | -1.100 | 43 | 8 | 15 | 7 | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O | QUQPHWDTPGMPEX-QJBIFVCTSA-N | (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one | 610.19 | 610.19 | 0 | 1 | 0 | 11 | 11 | 0 | 0 | 0 | 0 | 2023 | 19022 | 8214 | 2D+3D | Hesperidin | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxon... | 16 | 1332|1490|1511|1527|1529|1530|1531|1554|1556|1565|1566|1578|1621|1631|1634|1654|1656|1662|1663|1672|1700|1706|1721|1722|1766|1768|1777|1778|1779|1789|1800|1813|1814|1817|1822|1825|1832|1845|1850|1861|1863|1875|1885|1899|1903|1906|1910|1947|1950|1961|1962|1974|1979|1984|1986|1987|2006|2012|2013|2014|2016|2023|2025|2029|... | 20050624 | 10X CHEM|3B Scientific (Wuhan) Corp|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AKos Consult... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials |
101526 | Moxifloxacin Hydrochloride | Moxifloxacin hydrochloride|186826-86-8|Moxifloxacin HCl|Avelox|Vigamox|Avalox|BAY 12-8039|Moxifloxacin (Hydrochloride)|Moxeza|Bay-12-8039|Actira|Izilox|MFLX|CHEBI:7008|Moxifloxacin (as hydrochloride)|DTXSID4045921|UNII-C53598599T|AL-15469A|BAY12-8039|NSC-758875|(4aS-cis)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(... | 437.900 | C21H25ClFN3O4 | 82.100 | 727.000 | null | 30 | 3 | 8 | 4 | InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1 | COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl | COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl | IDIIJJHBXUESQI-DFIJPDEKSA-N | 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride | 437.152 | 437.152 | 0 | 2 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 10180 | 4513 | 1142 | 2D | Moxifloxacin | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1376|1385|1422|1465|1511|1529|1530|1531|1532|1554|1621|1626|1662|1663|1672|1813|1814|1832|1850|1863|1875|1885|1899|1900|1902|1903|1906|1910|1914|1915|1947|1950|1956|1962|1974|1981|1985|1987|2016|2023|2025|2029|2052|2057|2066|2094|2097|2098|2099|2129|2130|2156|2174|2177|2216|2221|2227|2234|2235|2237|2239|2247|2252|2253|... | 20050808 | 10X CHEM|3A SpeedChemical Inc|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acesobio|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|ACT Chemical|Activate Sci... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones|D004791 - Enzyme Inhibitors|D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors|COVID-19|C... |
444036 | Fluticasone Propionate | FLUTICASONE PROPIONATE|Flovent|80474-14-2|Cutivate|Flixotide|Flonase|Flixonase|Flovent HFA|Flusonal|Fluspiral|Flunase|Flutide|atemur|Asmatil|Axotide|Brethal|Fluinol|Flutivate|Flixotide Disk|Flixotide Disks|Flovent Diskus|Flovent Diskus 50|Flixotide Inhaler|Flovent Diskus 100|Flovent Diskus 250|Cultivate|Inalacor|Rinoso... | 500.600 | C25H31F3O5S | 106.000 | 984.000 | 4.000 | 34 | 1 | 9 | 6 | InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1 | CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF | CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF | WMWTYOKRWGGJOA-CENSZEJFSA-N | [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate | 500.184 | 500.184 | 0 | 1 | 0 | 9 | 9 | 0 | 0 | 0 | 0 | 6477 | 61699 | 12672 | 2D+3D | Fluticasone | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1332|1376|1385|1422|1465|1511|1529|1530|1531|1532|1554|1621|1626|1662|1663|1672|1813|1814|1832|1850|1863|1875|1885|1899|1903|1906|1910|1947|1950|1956|1962|1974|1979|1987|2016|2023|2025|2029|2052|2057|2066|2094|2097|2098|2099|2129|2130|2156|2174|2177|2216|2221|2227|2234|2235|2237|2239|2240|2241|2247|2275|2280|2300|2313|... | 20050624 | 001Chemical|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AKos Consulting & Solutions|Alfa Chemistry|Angel Pharmatech Ltd.|ApexBio Technology|Apexmol|AstaTech, Inc.|Auro... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid|D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents|D018926 - Anti-Allergic... |
4510 | Nitroglycerin | nitroglycerin|Glyceryl trinitrate|Trinitroglycerin|Nitrostat|55-63-0|Nitroglycerine|Nitroglycerol|Trinitroglycerol|Nitro-dur|Minitran|Transderm-nitro|Glycerol trinitrate|Nitrolingual|Trinitrin|Nitronet|Nitora|Tridil|Lenitral|Nitroderm|Nitroglyn|Nitrospan|Niong|NitroMist|Transderm Nitro|Nitro-Bid|Nitroglicerina|Nitrosta... | 227.090 | C3H5N3O9 | 165.000 | 219.000 | 1.600 | 15 | 0 | 9 | 5 | InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 | C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] | C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] | SNIOPGDIGTZGOP-UHFFFAOYSA-N | 1,3-dinitrooxypropan-2-yl nitrate | 227.003 | 227.003 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 34876 | 63342 | 22370 | 2D+3D | Nitroglycerin | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 1189|1205|1208|58416|58418|58420|59574|59741|60299|60813|60814|60816|60819|60820|60821|76451|76452|77510|77511|77513|77514|167355|167787|173808|175471|175492|175666|178068|178994|187573|195179|218879|218881|219085|225247|225250|226296|227028|227030|232773|245849|309710|311367|318681|321898|321900|352262|352494|352500|3... | 20040916 | 3B Scientific (Wuhan) Corp|ABI Chem|AHH Chemical co.,ltd|AKos Consulting & Solutions|Alfa Chemistry|Ambinter|AN PharmaTech|Angene Chemical|Aurora Fine Chemicals LLC|BenchChem|BIDD|BioCyc|BOC Sciences|Carcinogenic Potency Database (CPDB)|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chembase.cn|ChEMBL|ChemDB|Chemhere|Chem... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent|C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates|D053834 - Explosive Agents|C - Cardiovascular system > C... |
5282452 | Pitavastatin | Pitavastatin|Itavastatin|147511-69-1|Livalo|Pitavastatin [INN]|NK 104|pitavastatia|pitavastatine|pitavastatinum|Pitavastatin calcium|UNII-M5681Q5F9P|CHEBI:32020|M5681Q5F9P|NK-104|(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid|6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophe... | 421.500 | C25H24FNO4 | 90.600 | 631.000 | 3.500 | 31 | 3 | 6 | 8 | InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1 | C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F | C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)O)O)O)C4=CC=C(C=C4)F | VGYFMXBACGZSIL-MCBHFWOFSA-N | (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid | 421.169 | 421.169 | 0 | 1 | 0 | 2 | 2 | 0 | 1 | 1 | 0 | 802 | 35254 | 6961 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 588211|588212|588213|678974|679168|699539|699540|699541|1079931|1079932|1079933|1079934|1079935|1079936|1079937|1079938|1079939|1079940|1079941|1079942|1079943|1079944|1079945|1079946|1079947|1079948|1079949|1159387|1159389|1159390|1159391|1159394|1159395|1159396|1210299|1210301|1210302|1218862|1218866|1220811|1220813|... | 20051011 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|ACT Chemical|Activate Scientific|A... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors|C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent|D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents|C471 - Enzyme Inhibitor > C1655 - HMG-CoA ... |
3821 | Ketamine | ketamine|dl-Ketamine|Ketaject|Special K|Ketalar|(+-)-Ketamine|CI 581 base|Calypsol|Ketaminum|CLSTA 20|6740-88-1|(+/-)-Ketamine|narketan|Cetamina|Ketanest|Tekam|Ketalar base|2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone|2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone|Ursotamin|KETAMINE HCL|Anaket v|Ketaminum [INN-Lati... | 237.720 | C13H16ClNO | 29.100 | 269.000 | 2.200 | 16 | 1 | 2 | 2 | InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3 | CNC1(CCCCC1=O)C2=CC=CC=C2Cl | CNC1(CCCCC1=O)C2=CC=CC=C2Cl | YQEZLKZALYSWHR-UHFFFAOYSA-N | 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one | 237.092 | 237.092 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 51416 | 120786 | 28786 | 2D+3D | Ketamine | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 880|881|894|1030|1195|1379|1452|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1688|1766|1768|1865|1948|2101|2107|2112|2314|2315|2451|2472|2517|2528|2546|2549|2551|2662|21246|21247|21248|24432|27167|28681|29359|29811|110161|144466|144606|144832|146725|146726|156805|175137|175138|204690|222489|223455|2... | 20050325 | ABI Chem|Achemo Scientific Limited|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alsachim|Amadis Chemical|Ambinter|AN PharmaTech|ApexBio Technology|Aurora Fine Chemicals LLC|BenchChem|BePharm Ltd.|BIND|BindingDB|BioChemPartner|BioCrick|Biosynth|Boerchem|CCSbase|Changzhou Highassay Chemica... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general|C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics|D002491 - Central Nervous System Agents > D000700 - Analgesics|D018373 - P... |
65064 | Epigallocatechin Gallate | (-)-Epigallocatechin gallate|EGCG|989-51-5|Epigallocatechin gallate|Epigallocatechin 3-gallate|Tea catechin|Epigallocatechin-3-gallate|Teavigo|Epigallocatechin-3-monogallate|(-)-Epigallocatechin-3-o-gallate|(-)-epigallocatechin 3-gallate|PF-EGCg 90|(-)-Epigallocatechol gallate|NVP-XAA 723|CCRIS 3729|(2R,3R)-5,7-Dihydro... | 458.400 | C22H18O11 | 197.000 | 667.000 | 1.200 | 33 | 8 | 11 | 4 | InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O | WMBWREPUVVBILR-WIYYLYMNSA-N | [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate | 458.085 | 458.085 | 0 | 1 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 12073 | 33603 | 12471 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 16 | 485|608|631|731|781|782|880|940|950|951|952|1001|1006|1007|1008|1009|1012|1016|1018|1019|1020|1021|1022|1027|1032|1033|1040|1048|1049|1051|1066|1085|1135|1136|1189|1199|1203|1209|1214|1216|1217|1220|1222|1229|1236|1251|1274|1304|1321|1325|1359|1362|1376|1385|1415|1416|1422|1423|1424|1434|1439|1440|1441|1443|1445|1446|1... | 20050624 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Aceschem Inc|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Acti... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D020011 - Protective Agents > D000975 - Antioxidants|D020011 - Protective Agents > D016588 - Anticarcinogenic Agents|D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents|D000970 - Antineoplastic Agents|D020011 - Protective Agents > D016587 - Antimutagenic Agents|COVID-19|COVID19|Coronavirus|Corona... |
5311101 | Fluticasone | fluticasone|90566-53-3|Fluticasona|Fluticasonum|Fluticaps|Fluticaps (TN)|Fluticasone (INN)|Fluticasone, Inhaled|Optinose|UNII-CUT2W21N7U|CUT2W21N7U|Fluticasone, topical|CHEBI:5134|Fluticasonum [Latin]|HSDB 7740|Opn-375|S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3... | 444.500 | C22H27F3O4S | 99.900 | 861.000 | 3.200 | 30 | 2 | 8 | 3 | InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1 | C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)O)C)O)F)C)F | CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)O)C)O)F)C)F | MGNNYOODZCAHBA-GQKYHHCASA-N | S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate | 444.158 | 444.158 | 0 | 1 | 0 | 9 | 9 | 0 | 0 | 0 | 0 | 7128 | 43150 | 8431 | 2D+3D | Fluticasone | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Biological Test Results: Active|Biological... | 16 | 311524|588214|588215|588216|588217|588218|588219|589039|625279|625280|625281|625282|625283|625284|625285|625286|625287|625288|625289|625290|625291|625292|639693|639736|1346849|1363681|1363682|1919220 | 20051216 | A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABI Chem|Achemtek|Acorn PharmaTech Product List|AK Scientific, Inc. (AKSCI)|Alfa Chemistry|BIDD|BindingDB|Boerchem|ChEBI|ChEMBL|Chemenu Inc.|ChemIDplus|Chemieliva Pharmaceutical Co., Ltd|ChemMol|ChemSpider|CymitQuimica|DC Chemicals|DiscoveryGate|DrugBank|Egon Willigha... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BA - Glucocorticoids|C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C2... |
5281232 | Crocetin | Crocetin|Transcrocetin|27876-94-4|trans-Crocetin|8,8'-Diapocarotenedioic acid|Transcrocetinate|(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid|Transcrocetin [INN]|8,8'-Diapo-psi,psi-carotenedioic acid|8,8-Diapocarotenedioic acid|Transcrocetinic acid|8,8'-Diapocarotene-8,8'-di... | 328.400 | C20H24O4 | 74.600 | 608.000 | 5.400 | 24 | 2 | 4 | 8 | InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+ | C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C | CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O | PANKHBYNKQNAHN-MQQNZMFNSA-N | (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid | 328.167 | 328.167 | 0 | 1 | 0 | 0 | 0 | 0 | 7 | 7 | 0 | 1066 | 3546 | 1542 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological T... | 16 | 403341|725307|1259409|1621005|1621006|1621007|1621008|1621009|1621081 | 20050624 | 001Chemical|10X CHEM|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Ace Therapeutics|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AKos Consulting & Solutions|Alfa Chemistry|Amadis Chemical|Ambeed|Ambinter|AstaTech... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D020011 - Protective Agents > D016588 - Anticarcinogenic Agents|D000970 - Antineoplastic Agents|D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical tr... |
9403 | Estradiol Cypionate | estradiol cypionate|313-06-4|Depofemin|Depoestradiol|Depo-Estradiol|Depoestra|Estradep|Estrapo|Estro-Depo|Dep-Estro|Femogen CYP|Depoestradiol cypionate|Estradiol 17-cypionate|beta-Estradiol 17-cypionate|depGynogen|Pertradiol|Estradiol cyclopentylpropionate|E. Ionate P.A.|Neoginon Depositum|Estradiol (cypionate)|Estradi... | 396.600 | C26H36O3 | 46.500 | 597.000 | 7.100 | 29 | 1 | 3 | 5 | InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O | CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O | UOACKFBJUYNSLK-XRKIENNPSA-N | [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate | 396.266 | 396.266 | 0 | 1 | 0 | 5 | 5 | 0 | 0 | 0 | 0 | 452 | 4147 | 1103 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 1|3|5|7|9|11|13|15|17|19|21|23|25|27|29|31|33|35|37|39|41|43|45|47|49|51|53|57|59|61|63|65|67|69|71|73|75|77|79|81|83|85|87|89|91|93|95|99|101|103|105|107|109|113|115|119|121|123|125|129|131|133|137|139|141|143|145|155|157|161|165|167|175|248|328|1195|1376|1385|1422|1465|1511|1529|1530|1531|1532|1554|1621|1626|1662|166... | 20050326 | A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AEchem Scientific Corp., USA|AKos Consulting & Solutions|Alfa Chemistry|Anward|ApexBio Technology|AstaTech... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - T... |
33741 | Tramadol | Tramadol|(+)-Tramadol|27203-92-5|Ralivia flashtab|123154-38-1|Ralivia ER|Tramadon|Racemic tramadol|Tramadolum [INN-Latin]|Biomadol|Contramid|Labesfal|Tradolan|Tramadis|Tramadolum|Tramaliv|Trapidol|cis-Tramadol|Tradonal odis|Tramadol Contramid|(+-)-Tramadol|(+/-)-tramadol|Tiparol|Amanda|181289-58-7|EINECS 248-319-6|UNII... | 263.370 | C16H25NO2 | 32.700 | 282.000 | 2.600 | 19 | 1 | 3 | 4 | InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 | CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O | CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O | TVYLLZQTGLZFBW-ZBFHGGJFSA-N | (1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol | 263.189 | 263.189 | 0 | 1 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 15801 | 52263 | 11123 | 2D+3D | Tramadol | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Resul... | 16 | 485|781|782|798|800|873|880|881|894|940|1021|1022|1030|1046|1085|1195|1230|1236|1242|1274|1304|1321|1359|1376|1377|1379|1381|1385|1415|1416|1422|1423|1424|1430|1434|1439|1440|1441|1443|1445|1446|1448|1452|1454|1456|1457|1460|1461|1463|1465|1466|1467|1468|1469|1471|1476|1477|1478|1479|1481|1486|1487|1490|1496|1509|1510|... | 20050624 | 001Chemical|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AbaChemScene|ABBLIS Chemicals|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics|C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent|D002491 - Central Nervous System Agents > D000700 - Analgesics|D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents|N - Ne... |
172198 | angiotensin II | ANGIOTENSIN II|4474-91-3|Angiotensin II human|Hypertensin|Human angiotensin II|Angiotensin II (human)|Ang II|5-L-Isoleucineangiotensin II|Angiotensin II, human|5-Isoleucine-angiotensin II|Angiotensin II (mouse)|Giapreza|Asp-Arg-Val-Tyr-Ile-His-Pro-Phe|1-8-Angiotensin I|Ile(5)-angiotensin II|Isoleucine5-angiotensin II|C... | 1046.200 | C50H71N13O12 | 409.000 | 1980.000 | -1.700 | 75 | 13 | 15 | 29 | InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,... | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N | CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N | CZGUSIXMZVURDU-JZXHSEFVSA-N | (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopent... | 1045.53 | 1045.53 | 0 | 1 | 0 | 9 | 9 | 0 | 0 | 0 | 0 | 38763 | 55136 | 17279 | 2D | Angiotensin II | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Active|Biological Tes... | 16 | 1469|1477|1479|1490|1766|1768|2101|2107|2112|2314|2315|2451|2472|2517|2528|2546|2549|2551|24867|37530|37687|37702|37813|37822|37823|37824|37832|37844|37983|38135|38137|38138|38147|38149|39205|39206|39337|39346|39347|39363|39646|39647|165406|165418|165420|165422|166988|166989|167278|167344|167350|167449|167536|167602|16... | 20050601 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AKos Consulting & Solutions|Alfa Chemistry|Amadis Chemical|Ambinter|ApexBio Technology|AstaTech, Inc.|Aurora Fine Chemicals LLC|BenchChem|BePharm Ltd.|BIND|BindingDB|Bi... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C307 - Biological Agent|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones|C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides|D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents|COVID-19|COVID19|Coronavirus|Corona-viru... |
135444742 | Tetrahydrofolic acid | tetrahydrofolic acid|tetrahydrofolate|135-16-0|5,6,7,8-tetrahydrofolic acid|Tetrahydropteroylglutamic acid|(2S)-2-(4-(((2-Amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid|5,6,7,8-tetrahydrofolate|(6S)-tetrahydrofolate|CHEBI:20506|43ZWB253H4|th-folate|folate-H4|(6S)-Tetrahydrofolic... | 445.400 | C19H23N7O6 | 207.000 | 834.000 | -0.600 | 32 | 8 | 10 | 9 | InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1 | C1C(NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O | C1C(NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | MSTNYGQPCMXVAQ-KIYNQFGBSA-N | (2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | 445.171 | 445.171 | 0 | 1 | 0 | 2 | 1 | 1 | 0 | 0 | 0 | 1440 | 13921 | 4365 | 2D+3D | null | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biolo... | 16 | 57085|57086|57087|57088|57251|57256|57262|57427|57428|57429|57430|57431|57432|57433|57434|71200|71203|71205|71218|71229|71382|230430|1409598|1640020|1645758|1671498 | 20190115 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|AbaChemScene|ABI Chem|Achemtek|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Amadis Chemical|Ambeed|Ambinter|AstaTech, Inc.|Aurora Fine Chemicals LLC|BenchChem|BePharm Ltd.|BIND|BindingDB|Biosynth|BLD Pharm|BOC Science... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
24424 | Zinc Sulfate | Zinc sulfate|7733-02-0|Zinc sulphate|Zinc sulfate anhydrous|Zincate|White vitriol|zinc(II) sulfate|Zincomed|Optraex|Zinc vitriol|OP-Thal-zin|Zinc sulfate (1:1)|Bufopto zinc sulfate|ZnSO4|Sulfuric acid, zinc salt (1:1)|Zinc sulphate anhydrous|Sulfate de zinc|Zinc sulfate, anhydrous|Zinc sulphate, anhydrous|Zinc sulfate ... | 161.400 | O4SZn | 88.600 | 62.200 | null | 6 | 0 | 4 | 0 | InChI=1S/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2 | [O-]S(=O)(=O)[O-].[Zn+2] | [O-]S(=O)(=O)[O-].[Zn+2] | NWONKYPBYAMBJT-UHFFFAOYSA-L | zinc;sulfate | 159.881 | 159.881 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 19064 | 29969 | 21273 | 2D | Zinc Sulfate | Agrochemical Information|Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Food Additives and Ingredients|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders... | 16 | 678861|679852|680843|1259407|1259408 | 20040916 | 3B Scientific (Wuhan) Corp|3WAY PHARM INC|ABI Chem|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alichem|Ambinter|Aromalake Chemical|Aurora Fine Chemicals LLC|BenchChem|BioCyc|Biosynth|BLD Pharm|BOC Sciences|Changzhou Highassay Chemical Co., Ltd|ChEBI|Chembase.cn|ChEMBL|Chemical Carcinogenesis ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|Research and Development|Subscription Services | B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05X - I.v. solution additives > B05XA - Electrolyte solutions|A - Alimentary tract and metabolism > A12 - Mineral supplements > A12C - Other mineral supplements > A12CB - Zinc|D003879 - Dermatologic Agents > D001252 - Astringents|CO... |
5479530 | Ceftriaxone | ceftriaxone|Biotrakson|Rocephin|Ceftriaxon|73384-59-5|Ceftriaxona|Ceftriaxonum|Ceftriazone|Rocefin|Ceftriaxonum [INN-Latin]|Ceftriaxona [INN-Spanish]|Rocephine|CEFTRIAXONE SODIUM|DRG-0071|CHEBI:29007|EINECS 277-405-6|Rocephalin|Ceftriaxone (INN)|UNII-75J73V1629|CHEMBL161|CTRX|(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-y... | 554.600 | C18H18N8O7S3 | 288.000 | 1110.000 | -1.300 | 36 | 4 | 13 | 8 | InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1 | CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O | CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O | VAAUVRVFOQPIGI-SPQHTLEESA-N | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 554.046 | 554.046 | 0 | 1 | 0 | 2 | 2 | 0 | 1 | 1 | 0 | 7072 | 23854 | 6869 | 2D+3D | Ceftriaxone | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxonomy|Biological Test Results: Ac... | 16 | 1195|19419|20050|20342|40924|43105|43754|43755|43756|43757|43758|52958|66381|66741|67568|68366|68853|69139|69824|69825|89996|91060|163919|193178|202540|206194|206315|206456|206457|206458|206459|206460|206461|207361|207362|207880|208139|208140|208463|209467|209885|209886|209887|210362|210363|210364|210365|210366|210367|... | 20050801 | 3B Scientific (Wuhan) Corp|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acorn PharmaTech Product List|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|Alsachim|Amadis Chemical|Ambinter|AmicBase - Antimicrobial Activities|AN PharmaTech|AstaTech, Inc.|A... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D... |
27503 | Cromolyn Sodium | CROMOLYN SODIUM|15826-37-6|Sodium cromoglycate|Disodium cromoglycate|sodium cromoglicate|Sodium cromolyn|Gastrocrom|Cromolyn disodium salt|Cromolyn sodium salt|Cromoptic|Nasalcrom|Opticrom|Crolom|Cromoglycate disodium|Intal|Natrii cromoglicas|Natrium cromoglicat|Gastrofrenal|Lomuda|Intal nebulizer|Chromolyn sodium|Crom... | 512.299 | C23H14Na2O11 | 172.000 | 824.000 | null | 36 | 1 | 11 | 6 | InChI=1S/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;/q;2*+1/p-2 | C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-].[Na+].[Na+] | C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-].[Na+].[Na+] | VLARUOGDXDTHEH-UHFFFAOYSA-L | disodium;5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate | 512.033 | 512.033 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7351 | 42639 | 9830 | 2D | Cromolyn Sodium | Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Drug and Medication Information|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Biological Test Results: Active|Biol... | 16 | 357|377|410|411|444|445|446|447|448|450|451|526|530|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|662|875|880|881|883|884|885|886|887|889|891|892|893|894|899|900|901|902|910|912|914|915|923|924|925|926|927|930|938|940|995|1030|1379|1422|1452|1454|1457|1458|1460|1463|1467|1468|1469|1471|1476|1477|1478|... | 20050624 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemica|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AK Scientific, Inc. (AK... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D007155 - Immunologic Factors|D018926 - Anti-Allergic Agents|C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer|D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents|D000893 - Anti-Inflammatory Agents > D000082142 - Mast Cell Stabilizers|COVID-19|... |
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