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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5280795 | Cholecalciferol | Vitamin D3|cholecalciferol|67-97-0|Colecalciferol|Calciol|Ricketon|Oleovitamin D3|Deparal|Arachitol|Delsterol|Trivitan|Ebivit|Vigantol|Vigorsan|vitamin d-3|Colecalcipherol|Colecalciferolum|Cholecalciferolum|D3-Vicotrat|D3-Vigantol|Vi-de-3-hydrosol|NEO Dohyfral D3|Provitina|Quintox|Rampage|1406-16-2|Vitinc Dan-Dee-3|(+)... | 384.600 | C27H44O | 20.200 | 610.000 | 7.900 | 28 | 1 | 1 | 6 | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1 | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C | CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C | QYSXJUFSXHHAJI-YRZJJWOYSA-N | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | 384.339 | 384.339 | 0 | 1 | 0 | 5 | 5 | 0 | 2 | 2 | 0 | 66147 | 66005 | 21142 | 2D+3D | Cholecalciferol | 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... | 20 | 377|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|974|975|976|977|978|979|... | 20040916 | 10X CHEM|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|Achemtek|Acmec Biochemical|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry|ApexBio Techno... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000077264 - Calcium-Regulating Hormones and Agents|A - Alimentary tract and metabolism > A11 - Vitamins > A11C - Vitamin a and d, incl. combinations of the two > A11CC - Vitamin d and analogues|D018977 - Micronutrients > D014815 - Vitamins|D050071 - Bone Density Conservation Agents|COVID-19|COVID19|Coronavirus|Corona-... |
135398658 | Folic Acid | folic acid|59-30-3|Pteroylglutamic acid|Folate|Vitamin M|Folacin|PteGlu|Folacid|Vitamin B9|Vitamin Bc|Folicet|Folvite|Incafolic|Folettes|Foliamin|Folipac|Folsan|Millafol|Acifolic|Cytofol|Pteroyl-L-glutamic acid|Folsaure|Folbal|Folsav|Foldine|Vitamin Be|Mittafol|Facid|Folan|Pteroylmonoglutamic acid|Pteroyl-L-monoglutami... | 441.400 | C19H19N7O6 | 209.000 | 767.000 | -1.100 | 32 | 6 | 10 | 9 | InChI=1S/C19H19N7O6/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/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N | OVBPIULPVIDEAO-LBPRGKRZSA-N | (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | 441.14 | 441.14 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 52276 | 182747 | 59747 | 2D+3D | Folic Acid | 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... | 20 | 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|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|940|995|1030|1033|1195|1204|1332|1379|1422|1452|1454|1457|1458|1460|1463|1467|1468|1469|1471... | 20190115 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Ace Therapeutics|Achemtek|Acmec Biochemical|Activate Scientific|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D006401 - Hematologic Agents > D006397 - Hematinics|B - Blood and blood forming organs > B03 - Antianemic preparations > B03B - Vitamin b12 and folic acid > B03BB - Folic acid and derivatives|D018977 - Micronutrients > D014815 - Vitamins|V - Various > V04 - Diagnostic agents|COVID-19|COVID19|Coronavirus|Corona-virus|SA... |
5143 | Saccharin | saccharin|81-07-2|o-Benzoic sulfimide|Saccharine|o-Sulfobenzimide|Saccharimide|Benzosulfimide|Garantose|o-Benzosulfimide|Benzoic sulfimide|Benzosulphimide|Saccharinol|Saccharinose|Gluside|Saccharin insoluble|Benzosulfinide|Hermesetas|Saccharol|Glucid|Sweeta|Benzoic sulphimide|Kandiset|Sacarina|Sucrette|Zaharina|Sykose|... | 183.190 | C7H5NO3S | 71.600 | 303.000 | 0.900 | 12 | 1 | 3 | 0 | InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) | C1=CC=C2C(=C1)C(=O)NS2(=O)=O | C1=CC=C2C(=C1)C(=O)NS2(=O)=O | CVHZOJJKTDOEJC-UHFFFAOYSA-N | 1,1-dioxo-1,2-benzothiazol-3-one | 182.999 | 182.999 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 15931 | 154755 | 51714 | 2D+3D | Saccharin | 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... | 20 | 155|157|161|165|167|175|328|875|880|881|884|885|887|889|892|893|894|900|902|910|923|924|927|930|940|995|1030|1189|1194|1199|1205|1208|1379|1422|1452|1454|1457|1458|1460|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|1... | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek... | 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|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank |
89594 | Nicotine | nicotine|L-Nicotine|54-11-5|(-)-Nicotine|(S)-Nicotine|(S)-3-(1-methylpyrrolidin-2-yl)pyridine|Habitrol|(S)-(-)-Nicotine|Nicotrol|Nicoderm|3-[(2S)-1-methylpyrrolidin-2-yl]pyridine|Nicotine polacrilex|Fumetobac|Micotine|Nicocide|Prostep|Tendust|Nico-dust|Nicoderm Cq|Nicotine alkaloid|Emo-nik|Nico-Fume|Mach-Nic|Nic-Sal|Fl... | 162.230 | C10H14N2 | 16.100 | 147.000 | 1.200 | 12 | 0 | 2 | 1 | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | CN1CCC[C@H]1C2=CN=CC=C2 | CN1CCCC1C2=CN=CC=C2 | SNICXCGAKADSCV-JTQLQIEISA-N | 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine | 162.116 | 162.116 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 60413 | 112966 | 37613 | 2D+3D | Nicotine | 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... | 20 | 421|426|427|433|434|435|445|530|540|541|542|543|544|545|546|584|585|595|596|603|605|608|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|901|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|974|975|976|977|978|... | 20040916 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acorn PharmaTech Product List|Adooq BioScience|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alad... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BA - Drugs used in nicotine dependence|D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists|D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731... |
54670067 | Ascorbic Acid | l-ascorbic acid|ascorbic acid|vitamin C|50-81-7|L-ascorbate|Ascoltin|ascorbate|Ascorbicap|Cevitamic acid|L(+)-Ascorbic acid|Laroscorbine|Testascorbic|Allercorb|Ascorbajen|Ascorbutina|Ascorteal|Ascorvit|Cantaxin|Cebicure|Cegiolan|Celaskon|Cenetone|Cenolate|Cescorbat|Cetemican|Cevatine|Cevitamin|Citriscorb|Colascor|Conce... | 176.120 | C6H8O6 | 107.000 | 232.000 | -1.600 | 12 | 4 | 6 | 2 | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 | C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O | C(C(C1C(=C(C(=O)O1)O)O)O)O | CIWBSHSKHKDKBQ-JLAZNSOCSA-N | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one | 176.032 | 176.032 | 0 | 1 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 120050 | 173351 | 67718 | 2D+3D | Ascorbic Acid | 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... | 20 | 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|974|975|976|977|978|979|980|... | 20111226 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|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|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|AHH Ch... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | B - Blood and blood forming organs > B03 - Antianemic preparations > B03A - Iron preparations > B03AA - Iron bivalent, oral preparations|G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01A... |
243 | Benzoic Acid | benzoic acid|65-85-0|Dracylic acid|benzenecarboxylic acid|Carboxybenzene|Benzeneformic acid|phenylformic acid|Benzenemethanoic acid|Phenylcarboxylic acid|benzoate|Retardex|Benzoesaeure GK|Benzoesaeure GV|Retarder BA|Tenn-Plas|Acide benzoique|Salvo liquid|Solvo powder|Benzoesaeure|Benzoic acid, tech.|Unisept BZA|HA 1 (a... | 122.120 | C7H6O2 | 37.300 | 104.000 | 1.900 | 9 | 1 | 2 | 1 | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | C1=CC=C(C=C1)C(=O)O | C1=CC=C(C=C1)C(=O)O | WPYMKLBDIGXBTP-UHFFFAOYSA-N | benzoic acid | 122.037 | 122.037 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 25378 | 591213 | 212036 | 2D+3D | Benzoic Acid | 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... | 19 | 155|157|161|165|167|175|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|974|... | 20040916 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific 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|AbovC... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000890 - Anti-Infective Agents > D000935 - Antifungal Agents|D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
60961 | Adenosine | adenosine|58-61-7|Adenocard|Adenoscan|Adenine riboside|beta-D-Adenosine|Nucleocardyl|Adenosin|Sandesin|Boniton|Myocol|Adenine nucleoside|Adenocor|beta-Adenosine|9-beta-D-Ribofuranosyladenine|9-beta-D-Ribofuranosyl-9H-purin-6-amine|9-beta-D-Ribofuranosidoadenine|USAF CB-10|Ade-Rib|9beta-D-Ribofuranosyladenine|Adenosin [... | 267.240 | C10H13N5O4 | 140.000 | 335.000 | -1.100 | 19 | 4 | 8 | 2 | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N | OIRDTQYFTABQOQ-KQYNXXCUSA-N | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | 267.097 | 267.097 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 90589 | 158317 | 50725 | 2D+3D | Adenosine | 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... | 19 | 357|361|364|368|371|373|374|375|411|422|425|429|430|431|432|436|438|440|441|444|446|449|450|453|454|455|456|457|460|483|485|487|488|501|518|521|522|524|525|527|528|529|538|539|552|555|556|559|560|561|565|567|568|570|571|572|573|574|575|576|577|580|581|583|587|588|589|590|591|592|593|594|597|598|601|602|604|606|608|609|... | 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|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn Pharma... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C - Cardiovascular system > C01 - Cardiac therapy|D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058913 - Purinergic Agonists|D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|D002491 - Central Nervous System Agents > D000700 - Analgesics|D002317 - Cardiovascular Agents > D000889 - Anti... |
938 | Nicotinic acid | nicotinic acid|niacin|59-67-6|Pyridine-3-carboxylic acid|3-pyridinecarboxylic acid|3-Carboxypyridine|wampocap|Niaspan|Acidum nicotinicum|nicolar|Apelagrin|Pellagrin|Akotin|Daskil|Efacin|Pelonin|Linic|vitamin B3|nicamin|nicobid|nicocap|Enduracin|Nicodelmine|Niconacid|Nicotinipca|Pellagramin|Direktan|Nicacid|Nicangin|Pev... | 123.110 | C6H5NO2 | 50.200 | 114.000 | 0.400 | 9 | 1 | 3 | 1 | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) | C1=CC(=CN=C1)C(=O)O | C1=CC(=CN=C1)C(=O)O | PVNIIMVLHYAWGP-UHFFFAOYSA-N | pyridine-3-carboxylic acid | 123.032 | 123.032 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 44516 | 208822 | 70237 | 2D+3D | Niacin | 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... | 19 | 192|248|357|410|411|444|445|446|447|448|450|451|485|526|530|568|583|584|585|587|588|589|590|591|592|593|594|595|596|597|598|602|603|605|606|607|608|618|620|629|630|631|633|639|648|662|687|701|719|731|750|757|758|759|760|761|764|775|781|782|793|797|798|799|800|803|804|817|818|827|828|834|841|861|862|868|871|873|875|878|... | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Aceschem Inc|Ac... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents|D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents|C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AC - Nicotinic acid and derivatives|D018977 - Micronutrients > D014815 - Vitamins|D009676 - No... |
936 | Niacinamide | nicotinamide|niacinamide|98-92-0|3-Pyridinecarboxamide|pyridine-3-carboxamide|Nicotinic acid amide|vitamin PP|Aminicotin|Amixicotyn|Papulex|Nicotylamide|Endobion|Hansamid|Nicobion|Nikotinamid|Savacotyl|Benicot|Dipegyl|Pelmine|Nicotinic amide|Delonin amide|Pelonin amide|Austrovit PP|Vi-Nicotyl|Inovitan PP|Amnicotin|Nica... | 122.120 | C6H6N2O | 56.000 | 114.000 | -0.400 | 9 | 1 | 2 | 1 | InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) | C1=CC(=CN=C1)C(=O)N | C1=CC(=CN=C1)C(=O)N | DFPAKSUCGFBDDF-UHFFFAOYSA-N | pyridine-3-carboxamide | 122.048 | 122.048 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 30128 | 138762 | 53685 | 2D+3D | Niacinamide | 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... | 19 | 1|3|5|7|9|13|15|19|21|23|25|29|31|33|35|39|41|43|45|47|49|53|55|59|65|67|71|73|79|81|83|85|89|91|93|95|97|99|103|105|107|109|113|115|119|121|123|125|129|131|133|137|139|141|145|155|157|161|165|167|175|256|330|368|374|485|539|555|556|565|568|573|577|583|606|618|620|631|645|708|709|731|750|757|758|759|760|761|764|774|775... | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemica|Achemo... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C26170 - Protective Agent > C275 - Antioxidant|D018977 - Micronutrients > D014815 - Vitamins|A - Alimentary tract and metabolism > A11 - Vitamins|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map, WikiPathways, PDB, Protein Data Bank, clinicaltrial, clinicaltr... |
5870 | Estrone | estrone|53-16-7|folliculin|OESTRONE|Theelin|Thelykinin|Ketohydroxyestrin|Estrugenone|Estron|Tokokin|estrovarin|Disynformon|Folliculine|Follicunodis|Glandubolin|Hiestrone|Hormestrin|Oestroform|Oestronum|Oestroperos|Destrone|Femidyn|Folipex|Folisan|Kestrone|Menagen|Oestrin|Kolpon|Estrone-A|Ketohydroxyoestrin|Cristallovar... | 270.400 | C18H22O2 | 37.300 | 418.000 | 3.100 | 20 | 1 | 2 | 0 | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O | DNXHEGUUPJUMQT-CBZIJGRNSA-N | (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one | 270.162 | 270.162 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 20803 | 47750 | 15113 | 2D+3D | Estrone | 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... | 19 | 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|521|522|524|525|527|528|529|538|539|547|552|555|556|559|560|561|565|567|568|570|571|572|573|574|575|576|577|580|581|583|587|588|589|590|591|592|593|594|597|598|601|602|604|606|609|614|... | 20040916 | 10X CHEM|3WAY PHARM INC|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|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|ACT Chemical|Activate Scien... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|C147908 - Hormone Therapy Agent > C548 - Therapeut... |
6253 | Cytarabine | cytarabine|147-94-4|Ara-C|Cytosine arabinoside|Aracytidine|Arabinocytidine|Cytarabinoside|Spongocytidine|Aracytin|Cytosar-U|Depocyt|Udicil|Arabinofuranosylcytosine|Arabitin|Aracytine|Cytarabina|Tarabine|Arafcyt|Erpalfa|1-beta-D-Arabinofuranosylcytosine|arabinocytosine|Cytarabinum|Cytosine beta-D-arabinofuranoside|DepoC... | 243.220 | C9H13N3O5 | 129.000 | 383.000 | -2.100 | 17 | 4 | 5 | 2 | InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1 | C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O | C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O | UHDGCWIWMRVCDJ-CCXZUQQUSA-N | 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | 243.086 | 243.086 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 36310 | 146030 | 39154 | 2D+3D | Cytarabine | 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... | 19 | 485|631|731|781|782|811|833|880|881|894|950|951|952|1001|1006|1007|1008|1009|1012|1016|1018|1019|1020|1021|1022|1027|1030|1032|1040|1044|1048|1049|1051|1066|1085|1135|1136|1195|1203|1209|1214|1216|1217|1220|1222|1229|1236|1251|1274|1304|1321|1325|1359|1362|1376|1379|1385|1415|1416|1422|1423|1424|1434|1439|1440|1441|144... | 20050624 | 001Chemical|10X CHEM|3A SpeedChemical Inc|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|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|AbovChem LLC|Acesobio|Achemo Scientific Limited|Achemt... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents|D000970 - Antineoplastic Agents|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents|C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite|D009676 - Noxae > D000963 - Antimetabolites|L - Antineoplastic ... |
5756 | Estriol | estriol|50-27-1|Oestriol|Trihydroxyestrin|Aacifemine|Estratriol|Ovestrion|Destriol|Ovestin|Theelol|Tridestrin|Oestratriol|Orestin|Ortho-Gynest|16alpha-Hydroxyestradiol|Deuslon-A|Hemostyptanon|Oestriolum|Hormomed|Klimoral|Overstin|Triovex|Thulol|16alpha,17beta-Estriol|Gynaesan|Orgastyptin|Estriel|Holin|Trihydroxyoestrin... | 288.400 | C18H24O3 | 60.700 | 411.000 | 2.500 | 21 | 3 | 3 | 0 | InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O | CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O | PROQIPRRNZUXQM-ZXXIGWHRSA-N | (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol | 288.173 | 288.173 | 0 | 1 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 12038 | 26471 | 7157 | 2D+3D | Estriol | 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... | 19 | 155|157|161|165|167|175|192|248|268|272|328|330|485|631|731|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|878|880|894|898|920|932|940|950|951|952|1001|1006|1007|1008|1009|1012|1016|1018|1019|1020|1021|1022|1027|1030|1032|1040|1046|1048|1049|1051|1063|1066|1085|1... | 20050326 | 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|Acadechem|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AEchem Scientific Corp., USA|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|C147908 - Hormone Therapy Agent > C548 - Therapeut... |
5988 | Sucrose | sucrose|57-50-1|saccharose|sugar|Table sugar|Cane sugar|White sugar|D-Sucrose|Rohrzucker|Saccharum|Microse|Rock candy|Amerfand|Amerfond|Confectioner's sugar|Sucrose, pure|sacarosa|D-(+)-Saccharose|D-Saccharose|Sucrose, dust|D(+)-Saccharose|D(+)-Sucrose|Sacharose|D-(+)-Sucrose|beta-D-Fructofuranosyl-alpha-D-glucopyranos... | 342.300 | C12H22O11 | 190.000 | 395.000 | -3.700 | 23 | 8 | 11 | 5 | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O | CZMRCDWAGMRECN-UGDNZRGBSA-N | (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | 342.116 | 342.116 | 0 | 1 | 0 | 9 | 9 | 0 | 0 | 0 | 0 | 204525 | 144987 | 82765 | 2D+3D | Sucrose | 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... | 19 | 1189|1194|1199|1205|1469|1471|1479|1490|1688|1766|1768|1811|2528|2546|2551|2662|23672|24032|26811|78477|89762|90086|90224|90258|90259|90260|91480|189629|311367|337692|337693|369769|369774|369781|369782|369783|369784|369785|369786|369787|369788|369789|369790|369791|369793|369795|369797|369799|369800|369805|455986|485290... | 20040916 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Achemtek|Acmec Biochemical|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem... | 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|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
5991 | Ethinyl Estradiol | ethinyl estradiol|Ethynylestradiol|57-63-6|ETHINYLESTRADIOL|Ethynyl estradiol|Ethinyloestradiol|17-Ethinylestradiol|Estinyl|Ginestrene|17alpha-Ethynylestradiol|Amenoron|Dyloform|Estorals|Ethinoral|Eticyclin|Eticyclol|Etinestrol|Etinestryl|Etinoestryl|Etistradiol|Feminone|Follicoral|Novestrol|Orestralyn|Primogyn|Spanest... | 296.400 | C20H24O2 | 40.500 | 505.000 | 3.700 | 22 | 2 | 2 | 1 | InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O | CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O | BFPYWIDHMRZLRN-SLHNCBLASA-N | (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | 296.178 | 296.178 | 0 | 1 | 0 | 5 | 5 | 0 | 0 | 0 | 0 | 16967 | 54975 | 14081 | 2D+3D | Ethinyl Estradiol | 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... | 19 | 1|3|5|7|11|13|15|17|19|21|23|27|29|31|33|35|37|39|45|47|49|51|53|55|57|59|61|63|65|67|69|71|73|75|77|79|81|99|101|103|107|109|115|119|123|125|129|131|133|137|139|141|143|145|180|192|206|210|220|226|248|256|260|264|268|270|276|296|328|334|342|368|374|421|426|427|433|434|435|445|485|530|539|540|541|542|543|544|545|546|55... | 20050326 | 001Chemical|10X CHEM|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|Ace Therapeutics|Achemtek|Acmec Biochemical|Acorn PharmaTech Product Lis... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents|C147908 - Hormone Th... |
6083 | Adenosine Phosphate | 5'-adenylic acid|adenosine 5'-monophosphate|Adenosine monophosphate|adenosine phosphate|61-19-8|adenylic acid|adenosine 5'-phosphate|5'-AMP|adenylate|Phosphentaside|Adenovite|Cardiomone|Phosaden|Phosphaden|Lycedan|AMP|Adenosine-5'-monophosphate|Vitamin B8|My-B-Den|Myoston|Monophosphadenine|5'-adenosine monophosphate|Mu... | 347.220 | C10H14N5O7P | 186.000 | 481.000 | -3.500 | 23 | 5 | 11 | 4 | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(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)O)O)O)N | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N | UDMBCSSLTHHNCD-KQYNXXCUSA-N | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | 347.063 | 347.063 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 39899 | 133646 | 44033 | 2D+3D | Adenosine Monophosphate | 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... | 19 | 880|1030|1195|1332|1457|1458|1460|1463|1468|1469|1471|1477|1479|1490|1688|1766|1768|1811|1865|2101|2107|2112|2517|2528|2546|2549|2551|2662|33710|34777|34901|34915|34916|34928|35062|35063|35067|35078|35081|35089|35091|35098|35099|52123|54327|54484|68444|70545|77348|77354|77361|87300|88304|88426|89523|91555|91558|92478|9... | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemic... | 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, COVID-19 Disease Map |
3365 | Fluconazole | fluconazole|86386-73-4|Diflucan|Triflucan|Biozolene|Elazor|Fluconazol|Biocanol|Zoltec|Fluconazolum|Flucazol|Flucostat|Fungata|difluconazole|Flukezol|Flunizol|Pritenzol|Alflucoz|Cryptal|Dimycon|Oxifugol|Baten|Canzol|Forcan|Mutum|Syscan|Zemyc|2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol|2-(2,4-DIFLUOR... | 306.270 | C13H12F2N6O | 81.600 | 358.000 | 0.400 | 22 | 1 | 7 | 5 | InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O | C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O | RFHAOTPXVQNOHP-UHFFFAOYSA-N | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol | 306.104 | 306.104 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 27654 | 74983 | 18749 | 2D+3D | Fluconazole | 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... | 19 | 875|880|881|884|885|887|889|892|893|894|900|902|910|923|924|927|930|940|995|1030|1189|1199|1208|1376|1379|1385|1422|1452|1454|1457|1458|1460|1463|1465|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1511|1519|1529|1530|1531|1532|1554|1580|1581|1582|1583|1584|1585|1586|1587|1588|1589|1590|1593|1594|1595|1596|1597|1598... | 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|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acmec Bio... | 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|D - Dermatologicals > D0... |
445154 | Resveratrol | resveratrol|501-36-0|trans-resveratrol|3,4',5-Trihydroxystilbene|(E)-5-(4-Hydroxystyryl)benzene-1,3-diol|3,5,4'-Trihydroxystilbene|(E)-resveratrol|Resvida|3,4',5-Stilbenetriol|5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol|3,4',5-Trihydroxy-trans-stilbene|Biofort|Cuspidatin|5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-b... | 228.240 | C14H12O3 | 60.700 | 246.000 | 3.100 | 17 | 3 | 3 | 2 | InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ | C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O | LUKBXSAWLPMMSZ-OWOJBTEDSA-N | 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | 228.079 | 228.079 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 22673 | 49108 | 16524 | 2D+3D | Resveratrol | 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... | 19 | 1|3|7|9|13|19|21|25|31|33|35|39|41|43|45|47|49|53|55|59|65|71|73|77|81|83|85|87|89|91|93|95|99|103|105|107|109|113|115|123|125|129|131|133|139|141|143|145|330|357|361|364|368|371|373|374|375|377|411|421|422|425|426|427|429|430|431|432|433|434|435|436|438|440|441|444|445|446|449|450|453|454|455|456|457|460|483|485|487|4... | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|Acorn ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D020011 - Protective Agents > D000975 - Antioxidants|D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors|D004791 - Enzyme Inhibitors|C26170 - Protective Agent > C275 - Antioxidant|C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|... |
896 | Melatonin | Melatonin|73-31-4|Melatonine|N-Acetyl-5-methoxytryptamine|Circadin|N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide|5-Methoxy-N-acetyltryptamine|Melatol|N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide|Melovine|8041-44-9|Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-|N-[2-(5-methoxyindol-3-yl)ethyl]acetamide|N-acetyl-5-met... | 232.280 | C13H16N2O2 | 54.100 | 270.000 | 0.800 | 17 | 2 | 2 | 4 | InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC | CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC | DRLFMBDRBRZALE-UHFFFAOYSA-N | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | 232.121 | 232.121 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 43624 | 53614 | 16325 | 2D+3D | Melatonin | 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... | 19 | 1|5|7|9|11|13|15|17|19|21|23|25|27|29|31|33|35|37|39|45|47|49|51|53|55|57|59|61|63|65|67|69|71|73|75|79|81|99|101|103|105|107|109|113|119|121|123|125|129|131|133|137|139|141|143|145|179|351|357|377|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|58... | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Ace ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C26170 - Protective Agent > C275 - Antioxidant|D020011 - Protective Agents > D000975 - Antioxidants|N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CH - Melatonin receptor agonists|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone|D006730 - Hormones, Hormone Substitutes, and Ho... |
5280343 | Quercetin | quercetin|117-39-5|Sophoretin|Meletin|Quercetine|Xanthaurine|Quercetol|Quertine|Quercitin|2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one|3,3',4',5,7-Pentahydroxyflavone|Cyanidelonon 1522|Flavin meletin|3,5,7,3',4'-Pentahydroxyflavone|Quertin|T-Gelb bzw. grun 1|C.I. Natural Yellow 10|Quercetin content|Kvercet... | 302.230 | C15H10O7 | 127.000 | 488.000 | 1.500 | 22 | 5 | 7 | 1 | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | REFJWTPEDVJJIY-UHFFFAOYSA-N | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one | 302.043 | 302.043 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 39711 | 70125 | 27740 | 2D+3D | Quercetin | 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... | 19 | 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|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|179|192|200|210|220|222|248|256|270|272|328|330|351|357|365|366|367|382|38... | 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|Abbott Labs|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemica|... | 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 clinicaltrial, clinicaltrials, clinical trial, clinical trials |
1110 | Succinic Acid | succinic acid|butanedioic acid|110-15-6|Amber acid|Asuccin|Dihydrofumaric acid|Wormwood acid|Katasuccin|Bernsteinsaure|1,2-Ethanedicarboxylic acid|ethylenesuccinic acid|1,4-Butanedioic acid|Wormwood|Succinicum acidum|Butandisaeure|Acidum succinicum|Butanedionic acid|Kyselina jantarova|Butane diacid|Ethylene dicarboxyli... | 118.090 | C4H6O4 | 74.600 | 92.600 | -0.600 | 8 | 2 | 4 | 3 | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) | C(CC(=O)O)C(=O)O | C(CC(=O)O)C(=O)O | KDYFGRWQOYBRFD-UHFFFAOYSA-N | butanedioic acid | 118.027 | 118.027 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 23014 | 70410 | 33367 | 2D+3D | Succinic Acid | 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... | 19 | 155|157|161|165|167|175|192|194|248|256|270|328|330|880|881|894|1030|1195|1379|1452|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1688|1766|1768|1811|1865|1948|2101|2107|2112|2314|2315|2451|2472|2517|2528|2546|2549|2551|2662|19262|95754|110255|121647|216185|258399|328866|344916|344917|344918|344926|3... | 20040916 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific 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|AbovC... | 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 |
5994 | Progesterone | progesterone|57-83-0|Pregn-4-ene-3,20-dione|Agolutin|Crinone|4-Pregnene-3,20-dione|Prometrium|Utrogestan|Progestin|Luteol|Gestormone|Glanducorpin|Pregnenedione|Progesterol|Progesteronum|Progestone|Progestron|Syngesterone|Corlutin|Hormoflaveine|Lutociclina|Methylpregnone|Progestasert|Progestosol|Progestronol|Syngestrets... | 314.500 | C21H30O2 | 34.100 | 589.000 | 3.900 | 23 | 0 | 2 | 1 | InChI=1S/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C | CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C | RJKFOVLPORLFTN-LEKSSAKUSA-N | (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | 314.225 | 314.225 | 0 | 1 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 123139 | 115933 | 36050 | 2D+3D | Progesterone | 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... | 19 | 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|87|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|179|180|192|228|248|270|328|342|357|361|364|368|371|373|374|375|377|381|411|421|422|425|426|427|429|430|431|432|433|434|435|43... | 20040916 | 001Chemical|10X CHEM|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|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific,... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins|C147908 - Hormone Therapy Agent > C548 - Therapeutic H... |
2519 | Caffeine | caffeine|58-08-2|Guaranine|1,3,7-Trimethylxanthine|Methyltheobromine|Theine|Thein|Cafeina|Koffein|Mateina|Alert-pep|Caffein|Cafipel|Coffeine|Refresh'n|Stim|Anhydrous caffeine|Cafamil|Cafecon|Caffedrine|Caffine|Vivarin|Nodaca|No-Doz|Eldiatric C|Hycomine|Coffein|Dexitac|Organex|7-Methyltheophylline|Nix Nap|Methyltheobrom... | 194.190 | C8H10N4O2 | 58.400 | 293.000 | -0.100 | 14 | 0 | 3 | 0 | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | CN1C=NC2=C1C(=O)N(C(=O)N2C)C | CN1C=NC2=C1C(=O)N(C(=O)N2C)C | RYYVLZVUVIJVGH-UHFFFAOYSA-N | 1,3,7-trimethylpurine-2,6-dione | 194.08 | 194.08 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 67711 | 125850 | 41299 | 2D+3D | Caffeine | 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... | 19 | 155|157|161|165|167|175|192|248|256|316|328|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|608|654|655|656|657|658|659|660|661|662|663|664|665|666|667|694|732|781|782|798|800|873|875|879|... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|AbaChemScene|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Achemtek|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Co... | 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|D - Dermatologicals|D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists|N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BC - Xanthine derivative... |
6057 | Tyrosine | L-tyrosine|tyrosine|60-18-4|(S)-Tyrosine|p-Tyrosine|H-Tyr-OH|L-p-Tyrosine|(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid|4-Hydroxy-L-phenylalanine|Tyrosine, L-|Tyrosinum [Latin]|Tyrosine (VAN)|Tirosina [Spanish]|L-(-)-Tyrosine|(-)-alpha-Amino-p-hydroxyhydrocinnamic acid|L-Phenylalanine, 4-hydroxy-|beta-(p-Hydroxyphenyl... | 181.190 | C9H11NO3 | 83.600 | 176.000 | -2.300 | 13 | 3 | 4 | 3 | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 | C1=CC(=CC=C1C[C@@H](C(=O)O)N)O | C1=CC(=CC=C1CC(C(=O)O)N)O | OUYCCCASQSFEME-QMMMGPOBSA-N | (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid | 181.074 | 181.074 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 167848 | 49594 | 19545 | 2D+3D | Tyrosine | 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... | 19 | 880|881|894|1030|1195|1379|1452|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1576|1688|1766|1768|1811|1865|1948|2101|2107|2112|2314|2315|2451|2472|2517|2528|2546|2549|2551|2662|24263|24265|26797|233318|274648|291061|291063|291065|291067|305774|305775|305776|305777|307896|307897|307898|318343|318344|... | 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|ABI Chem|AbMole Bioscience|Acadechem|Aceschem Inc|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Produ... | 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 |
5743 | Dexamethasone | dexamethasone|50-02-2|Decadron|Maxidex|Dexamethazone|Hexadecadrol|Dexasone|Hexadrol|Aeroseb-Dex|Fluormethylprednisolone|Desametasone|Superprednol|Visumetazone|Cortisumman|Decaderm|Decaspray|Dexacortal|Dexacortin|Gammacorten|Millicorten|Oradexon|Auxiron|Calonat|Dexason|Dexone|Dectancyl|Deltafluorene|Desamethasone|Desame... | 392.500 | C22H29FO5 | 94.800 | 805.000 | 1.900 | 28 | 3 | 6 | 2 | InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/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)CO)O)C)O)F)C | CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C | UREBDLICKHMUKA-CXSFZGCWSA-N | (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | 392.2 | 392.2 | 0 | 1 | 0 | 8 | 8 | 0 | 0 | 0 | 0 | 120142 | 199832 | 56651 | 2D+3D | Dexamethasone | 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... | 19 | 1|3|5|9|13|15|17|19|21|23|25|27|29|31|33|35|37|39|45|47|49|51|53|55|57|59|63|65|67|69|71|73|75|79|81|99|101|103|105|107|109|115|119|121|123|125|131|137|139|141|143|145|155|157|161|165|167|175|179|180|190|192|196|200|206|208|212|220|248|256|264|268|296|328|330|342|421|426|427|433|434|435|445|530|540|541|542|543|544|545|... | 20050326 | 001Chemical|10X CHEM|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|AbMole Bioscience|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scien... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XB - Corticosteroids, moderately potent, other combinations|D000970 - Antineoplastic Agents|S - Sensory organs > S03 - Ophthalmological and otological preparations > S03B - Corticosteroids > S03BA ... |
5862 | Cysteine | L-cysteine|52-90-4|cysteine|Cystein|(R)-2-Amino-3-mercaptopropanoic acid|(R)-Cysteine|Thioserine|Half-cystine|L-(+)-Cysteine|L-Cystein|Cysteinum|Cysteine, L-|(2R)-2-amino-3-sulfanylpropanoic acid|FREE CYSTEINE|beta-Mercaptoalanine|Half cystine|H-Cys-OH|cisteina|2-Amino-3-mercaptopropionic acid|Cisteinum|L-Cys|L-Alanine... | 121.160 | C3H7NO2S | 64.300 | 75.300 | -2.500 | 7 | 3 | 4 | 2 | InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | C([C@@H](C(=O)O)N)S | C(C(C(=O)O)N)S | XUJNEKJLAYXESH-REOHCLBHSA-N | (2R)-2-amino-3-sulfanylpropanoic acid | 121.02 | 121.02 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 84026 | 61548 | 24695 | 2D+3D | Cysteine | 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... | 19 | 1195|1811|7789|26336|26797|48474|51033|75140|75142|75144|75146|75147|75149|117055|232171|233322|299460|299461|376397|376398|376399|378146|390209|390210|390211|390212|390216|390217|390218|390219|390220|390224|390225|390226|390227|410195|450158|456218|456220|456221|456224|475771|628027|628028|630741|637281|657488|681113|... | 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|Ace Therapeutics|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Act... | 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 |
5755 | Prednisolone | prednisolone|50-24-8|Metacortandralone|Hydroretrocortine|Delta-Cortef|Deltacortril|Deltahydrocortisone|Codelcortone|Cortalone|Meticortelone|Predonine|Prenolone|Hydroretrocortin|Meti-Derm|Deltacortenol|Hydrodeltalone|Hydrodeltisone|Precortancyl|Predniliderm|Cotogesic|Decaprednil|Delcortol|Deltisilone|Dicortol|Donisolone... | 360.400 | C21H28O5 | 94.800 | 724.000 | 1.600 | 26 | 3 | 5 | 2 | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O | CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O | OIGNJSKKLXVSLS-VWUMJDOOSA-N | (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one | 360.194 | 360.194 | 0 | 1 | 0 | 7 | 7 | 0 | 0 | 0 | 0 | 89914 | 106851 | 29410 | 2D+3D | Prednisolone | 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... | 19 | 192|204|206|212|220|224|230|236|238|240|248|250|256|266|268|270|276|282|284|290|296|304|306|312|316|320|328|330|332|336|338|340|377|1189|1194|1195|1208|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|181... | 20050326 | 001Chemical|10X CHEM|3WAY PHARM INC|A&J Pharmtech CO., LTD.|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|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|AK Scientific,... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AA - Corticosteroids, weak (group i)|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therape... |
5960 | Aspartic Acid | L-aspartic acid|aspartic acid|56-84-8|H-Asp-OH|L-aspartate|(2S)-2-aminobutanedioic acid|Asparagic acid|aspartate|(S)-2-Aminosuccinic acid|L-Aminosuccinic acid|Aspatofort|L-Asparagic acid|Asparaginic acid|L-Asparaginic acid|(S)-Aspartic acid|Aspartic acid, L-|(2S)-Aspartic acid|(S)-Aminobutanedioic acid|L-Aspartinsaeure... | 133.100 | C4H7NO4 | 101.000 | 133.000 | -2.800 | 9 | 3 | 5 | 3 | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 | C([C@@H](C(=O)O)N)C(=O)O | C(C(C(=O)O)N)C(=O)O | CKLJMWTZIZZHCS-REOHCLBHSA-N | (2S)-2-aminobutanedioic acid | 133.038 | 133.038 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 65152 | 49266 | 19790 | 2D+3D | Aspartic Acid | 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... | 19 | 410|411|422|429|436|445|447|448|450|451|526|530|547|584|585|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|917|918|923|924|926|927|928|938|940|943|944|945|954|957|958|959|992|995|997|998|1030|1195|1379|1422|1452|1454|1457|1458|1459|1460|1461|1463|1467... | 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|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Ace Therapeutics|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map, PDB, Protein Data Bank, clinicaltrial, clinicaltrials, clinical trial, clinical trials |
3117 | Disulfiram | disulfiram|Tetraethylthiuram disulfide|97-77-8|Antabuse|Bis(diethylthiocarbamoyl) disulfide|Antabus|Alcophobin|Anticol|Esperal|Teturam|TETD|Dicupral|Exhorran|Hoca|Ethyldithiurame|Abstensil|Antaethyl|Antietanol|Antivitium|Contralin|Tetradine|Tetraetil|Teturamin|Abstinil|Abstinyl|Antadix|Antalcol|Antetan|Antetil|Antietil... | 296.500 | C10H20N2S4 | 121.000 | 201.000 | 3.900 | 16 | 0 | 4 | 7 | InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3 | CCN(CC)C(=S)SSC(=S)N(CC)CC | CCN(CC)C(=S)SSC(=S)N(CC)CC | AUZONCFQVSMFAP-UHFFFAOYSA-N | diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate | 296.051 | 296.051 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10020 | 49675 | 17587 | 2D+3D | Disulfiram | 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... | 19 | 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|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|179|192|248|328|357|377|410|411|422|429|436|444|445|446|447|448|450|451|485|512|526|530|547|584|585|587|588|589|590|591|592|593|594|... | 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|AbMole Bioscience|AbovChem LLC|Acadechem|Achemica|Adooq BioScience|AHH Chemical co.,ltd|AK Scientific, In... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C1744 - Multidrug Resistance Modulator|C471 - Enzyme Inhibitor|D002491 - Central Nervous System Agents > D000427 - Alcohol Deterrents|N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BB - Drugs used in alcohol dependence|P - Antiparasitic products, insecticides and r... |
445639 | Oleic Acid | oleic acid|112-80-1|cis-9-Octadecenoic acid|oleate|cis-Oleic acid|Wecoline OO|(Z)-Octadec-9-enoic acid|Elaidoic acid|Vopcolene 27|Glycon wo|Glycon RO|Oelsauere|Pamolyn 100|Groco 5l|Groco 2|Groco 4|Groco 6|Tego-oleic 130|Emersol 211|Metaupon|Pamolyn|cis-Octadec-9-enoic acid|Industrene 105|Industrene 205|Industrene 206|O... | 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-KTKRTIGZSA-N | (Z)-octadec-9-enoic acid | 282.256 | 282.256 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 45666 | 498731 | 187201 | 2D+3D | Oleic Acid | 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... | 19 | 1|3|5|7|9|13|15|19|21|23|27|29|31|33|35|37|39|45|47|49|51|53|55|57|59|61|63|65|67|69|71|73|75|77|79|81|83|93|99|101|103|105|107|109|111|113|117|119|121|123|125|127|129|131|133|143|145|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|... | 20040916 | 1st Scientific|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Achemtek|Acmec Biochemical|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alichem|Amadis Chemical|Ambeed|Ambinter|AN Ph... | 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 |
33613 | Amoxicillin | amoxicillin|Amoxycillin|26787-78-0|Amoxicillin anhydrous|Amoxicilline|p-Hydroxyampicillin|Amopenixin|Amolin|Moxal|D-Amoxicillin|Amoxil|Amoxicillinum|Amoxicilina|Clamoxyl|Amoxiden|Amoxivet|Anemolin|Bristamox|Delacillin|Flemoxin|Hiconcil|Histocillin|Imacillin|Unicillin|Vetramox|Amoclen|Aspenil|Cemoxin|Efpenix|Piramox|Amo... | 365.400 | C16H19N3O5S | 158.000 | 590.000 | -2.000 | 25 | 4 | 7 | 4 | InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C | LSQZJLSUYDQPKJ-NJBDSQKTSA-N | (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | 365.105 | 365.105 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 16173 | 87552 | 22908 | 2D+3D | Amoxicillin | 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... | 19 | 377|485|568|583|598|602|606|618|620|629|630|631|633|639|648|687|701|719|731|750|757|758|759|760|761|764|775|781|782|793|797|798|799|800|803|804|817|818|827|828|834|841|861|862|868|871|873|878|880|894|898|920|932|940|950|951|952|1001|1006|1007|1008|1009|1012|1016|1018|1019|1020|1021|1022|1027|1030|1032|1040|1046|1048|10... | 20050624 | 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|Achemtek|Acmec Biochemical|Acorn PharmaTech P... | 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 ... |
5757 | Estradiol | estradiol|beta-Estradiol|17beta-Estradiol|50-28-2|Oestradiol|Dihydrofolliculin|Estrace|Vivelle|progynon|Diogynets|Ovocyclin|Aquadiol|Climara|Diogyn|Vagifem|Dihydrotheelin|Dihydroxyestrin|Dimenformon|Divigel|Estraderm|Gynergon|Gynoestryl|Oestroglandol|Aerodiol|Corpagen|Estraldine|Estrogel|Estrovite|Femestral|Follicyclin... | 272.400 | C18H24O2 | 40.500 | 382.000 | 4.000 | 20 | 2 | 2 | 0 | InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O | VOXZDWNPVJITMN-ZBRFXRBCSA-N | (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol | 272.178 | 272.178 | 0 | 1 | 0 | 5 | 5 | 0 | 0 | 0 | 0 | 143499 | 92825 | 28781 | 2D+3D | Estradiol | 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... | 19 | 180|192|200|206|210|212|220|228|248|256|264|268|296|328|421|422|426|427|429|433|434|435|436|445|485|530|540|541|542|543|544|545|546|547|568|583|584|585|595|596|598|602|603|605|606|618|620|629|630|631|633|639|648|654|655|656|657|658|659|660|661|662|663|664|665|666|667|687|694|701|719|731|732|750|757|758|759|760|761|764|... | 20040916 | 10X CHEM|3WAY PHARM INC|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|Achemtek|Acmec Biochemical|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 | C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|G - Genito urinary sys... |
445354 | Retinol | retinol|Vitamin A|all-trans-Retinol|68-26-8|Vitamin A1|Alphalin|Chocola A|Alphasterol|Apostavit|Aquasynth|Axerophthol|Epiteliol|Prepalin|Testavol|Veroftal|Afaxin|Agiolan|Agoncal|Anatola|Apexol|Dofsol|Myvpack|Vaflol|Vitpex|Aoral|trans-retinol|Vitamin A alcohol|Disatabs Tabs|Oleovitamin A|Bentavit A|Dohyfral A|Alcovit A|... | 286.500 | C20H30O | 20.200 | 496.000 | 5.700 | 21 | 1 | 1 | 5 | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | FPIPGXGPPPQFEQ-OVSJKPMPSA-N | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol | 286.23 | 286.23 | 0 | 1 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 57515 | 161155 | 57901 | 2D+3D | Vitamin A | 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... | 19 | 1|3|5|7|9|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|59|65|67|71|73|77|81|85|87|91|93|95|99|101|103|105|107|115|119|121|123|125|129|131|133|137|139|143|145|155|157|161|165|167|175|192|194|206|212|220|248|256|264|270|274|296|302|328|330|421|426|427|433|434|435|445|530|540|541|542|543|544|545|546|584|585|595|596|... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|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|Achemtek|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistr... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use|S - Sensory organs > S01 - Ophthalmologicals|A - Alimentary tract and metabolism > A11 - Vitamins > A11C - Vitamin a and d, incl. combinations of the two > A11CA - Vitamin a, plain|D020011 - Protective ... |
8134 | 2-(2-Methoxyethoxy)ethanol | 2-(2-Methoxyethoxy)ethanol|111-77-3|DIETHYLENE GLYCOL MONOMETHYL ETHER|Methyl carbitol|Methoxydiglycol|Methyl digol|Ethanol, 2-(2-methoxyethoxy)-|Dowanol DM|Methyl dioxitol|3,6-Dioxa-1-heptanol|MECB|Ektasolve DM|Diethylene glycol methyl ether|Diglycol monomethyl ether|DEGME|2-(2-Methoxyethoxy)-Ethanol|Diethyleneglycol ... | 120.150 | C5H12O3 | 38.700 | 38.700 | -0.900 | 8 | 1 | 3 | 5 | InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3 | COCCOCCO | COCCOCCO | SBASXUCJHJRPEV-UHFFFAOYSA-N | 2-(2-methoxyethoxy)ethanol | 120.079 | 120.079 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 293 | 16077 | 7141 | 2D+3D | null | 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... | 19 | 1469|1479|588513|588514|588515|588516|588526|588527|588532|588533|588534|588535|588536|588537|588541|588543|588544|588545|588546|588547|602332|624030|624170|624172|624173|651631|651632|651633|651634|651635|651741|651743|651749|651751|651777|651778|651838|652048|652051|686978|686979|720516|720532|720533|720552|720634|72... | 20050326 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|Acadechem|Achemica|Achemtek|Acmec Biochemical|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|... | 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 |
6251 | Mannitol | D-mannitol|mannitol|69-65-8|Mannite|Osmitrol|Manna sugar|Cordycepic acid|Osmofundin|Resectisol|Diosmol|Mannit|Mannazucker|Mannidex|Mannigen|Mannistol|Invenex|Isotol|Osmosal|Marine Crystal|87-78-5|Maniton-S|D-(-)-Mannitol|Bronchitol|Mannitol, D-|(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol|(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hex... | 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-/m1/s1 | 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-KVTDHHQDSA-N | (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol | 182.079 | 182.079 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 61203 | 639828 | 199828 | 2D+3D | Mannitol | 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... | 18 | 880|1189|1194|1195|1199|1205|1208|1469|1471|1479|1487|1490|1511|1554|1662|1663|1672|1688|1766|1768|1813|1814|1832|1850|1863|1875|1885|1899|1903|1906|1910|1947|1950|1962|1974|1979|1987|2016|2023|2025|2029|2052|2057|2066|2094|2097|2098|2099|2101|2129|2130|2156|2174|2177|2216|2221|2227|2234|2235|2237|2239|2247|2280|2300|2... | 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|AbovChem LLC|Acadechem|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Adooq BioScience|AHH Chemical co.... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000074385 - Food Ingredients > D005503 - Food Additives|D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents|D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents|B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05B - I.v. solutions > B05BC - Solutions producing osmo... |
1046 | Pyrazinamide | pyrazinamide|pyrazinecarboxamide|98-96-4|pyrazine-2-carboxamide|Zinamide|Aldinamide|pyrazinoic acid amide|2-Pyrazinecarboxamide|Aldinamid|Pirazinamid|Tebrazid|Unipyranamide|Eprazin|Farmizina|Novamid|Pirazimida|Pyrafat|pyrazine carboxylamide|Pyrazineamide|2-Carbamylpyrazine|Isopas|Pyrazinecarboxylic acid amide|Pyrazinam... | 123.110 | C5H5N3O | 68.900 | 115.000 | -0.600 | 9 | 1 | 3 | 1 | InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) | C1=CN=C(C=N1)C(=O)N | C1=CN=C(C=N1)C(=O)N | IPEHBUMCGVEMRF-UHFFFAOYSA-N | pyrazine-2-carboxamide | 123.043 | 123.043 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12425 | 31712 | 10753 | 2D+3D | Pyrazinamide | 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... | 18 | 155|157|161|165|167|175|357|368|374|377|410|411|421|422|426|427|429|433|434|435|436|444|445|446|447|448|450|451|485|526|530|539|540|541|542|543|544|545|546|547|555|556|565|568|573|577|583|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|606|607|618|620|631|645|654|655|656|657|658|659|660|661|662|663|664|665|... | 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|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemica|Achemo Scientific Li... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents|J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis|C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent|COVID-19|COVID19|Corona... |
323 | Coumarin | coumarin|91-64-5|2H-Chromen-2-one|2H-1-Benzopyran-2-one|cumarin|1,2-Benzopyrone|chromen-2-one|Rattex|Coumarinic anhydride|Tonka bean camphor|Coumarine|cis-o-Coumarinic acid lactone|Coumarinic lactone|o-Hydroxycinnamic acid lactone|Benzo-alpha-pyrone|o-Hydroxycinnamic lactone|2-Oxo-1,2-benzopyran|Kumarin|Benzo-a-pyrone|... | 146.140 | C9H6O2 | 26.300 | 196.000 | 1.400 | 11 | 0 | 2 | 0 | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H | C1=CC=C2C(=C1)C=CC(=O)O2 | C1=CC=C2C(=C1)C=CC(=O)O2 | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N | chromen-2-one | 146.037 | 146.037 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 26254 | 116915 | 40128 | 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... | 18 | 1|3|7|9|11|13|15|17|19|21|23|25|27|29|31|33|35|39|45|47|49|51|53|55|57|59|63|65|67|69|71|73|75|77|79|81|99|101|103|105|107|109|113|119|121|123|125|129|133|135|137|139|141|143|145|179|192|200|212|220|222|226|248|256|268|270|302|316|328|330|421|426|427|433|434|435|445|485|530|540|541|542|543|544|545|546|584|585|595|596|6... | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Achemica|Achemo Scientific Limited|Achemtek|Acme... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
135398634 | Guanine | guanine|73-40-5|2-Amino-6-hydroxypurine|Guanin|2-Aminohypoxanthine|Mearlmaid|Guanine enol|Pearl essence|Stella Polaris|Dew Pearl|Natural white 1|Natural pearl essence|6H-Purin-6-one, 2-amino-1,7-dihydro-|2-Amino-6-purinol|CI Natural white 1|C.I. Natural White 1|2-amino-1H-purin-6(7H)-one|Hypoxanthine, 2-amino-|6-Hydrox... | 151.130 | C5H5N5O | 96.200 | 225.000 | -1.100 | 11 | 3 | 3 | 0 | InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) | C1=NC2=C(N1)C(=O)NC(=N2)N | C1=NC2=C(N1)C(=O)NC(=N2)N | UYTPUPDQBNUYGX-UHFFFAOYSA-N | 2-amino-1,7-dihydropurin-6-one | 151.049 | 151.049 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 28269 | 18716 | 7496 | 2D+3D | Guanine | 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... | 18 | 19262|47311|66419|155106|155120|155299|164770|164911|217732|230017|274547|274548|274549|274550|274562|274563|338748|502384|515780|694063|694065|694066|694067|694069|1129827|1129829|1136401|1136403|1204895|1259408|1272365|1324536|1324537|1324539|1324540|1324541|1324542|1324543|1324544|1324545|1324549|1324550|1324551|132... | 20190115 | 001Chemical|10X CHEM|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.|Aceschem Inc|Achemica|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Activate Scientific|AEchem Scientific Corp., ... | 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 |
60700 | Topotecan | topotecan|123948-87-8|Topotecan lactone|Hycamptamine|Hycamptin|(S)-Topotecan|Topotecane|Topotecanum|Nogitecan|Topotecane [INN-French]|Topotecanum [INN-Latin]|Topophore C|TopoCED|9-Dimethylaminomethyl-10-hydroxycamptothecin|Topotecan Actavis|UNII-7M7YKX2N15|NSC-641007|7M7YKX2N15|CCRIS 8163|CHEBI:63632|HSDB 8213|CHEMBL84... | 421.400 | C23H23N3O5 | 103.000 | 867.000 | 0.500 | 31 | 2 | 7 | 3 | InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1 | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O | CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O | UCFGDBYHRUNTLO-QHCPKHFHSA-N | (19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione | 421.164 | 421.164 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 8374 | 102111 | 26525 | 2D+3D | Topotecan | 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... | 18 | 7218|7474|7475|7476|7477|7482|7483|7708|8660|8675|9868|10041|10169|16881|16882|17281|21758|22190|22191|22192|22193|26144|26145|27126|28644|31609|41736|44517|44518|46268|46269|46271|46272|46274|46275|46485|46486|46871|46874|56562|56567|56570|56864|56880|56881|57214|57877|57904|78391|78392|78394|78395|78397|78398|78407|7... | 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|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AEchem Scienti... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors|L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CE - Topoisomerase 1 (top1) inhibitors|D004791 - Enzyme Inhibitors|C471 - Enzy... |
1066 | Quinolinic acid | quinolinic acid|Pyridine-2,3-dicarboxylic acid|89-00-9|2,3-pyridinedicarboxylic acid|quinolinate|339155-13-4|2,3-pyridine dicarboxylic acid|pyridinedicarboxylic acid|Pyridine-2,3-dicarboxylate|AI3-63017|C7H5NO4|pyridine-2,3-carboxylate|MFCD00006295|F6F0HK1URN|CHEMBL286204|28605-84-7|DTXSID8041327|CHEBI:16675|NSC-13127|... | 167.120 | C7H5NO4 | 87.500 | 204.000 | 0.200 | 12 | 2 | 5 | 2 | InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) | C1=CC(=C(N=C1)C(=O)O)C(=O)O | C1=CC(=C(N=C1)C(=O)O)C(=O)O | GJAWHXHKYYXBSV-UHFFFAOYSA-N | pyridine-2,3-dicarboxylic acid | 167.022 | 167.022 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5432 | 16284 | 6107 | 2D+3D | Quinolinic Acid | 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... | 18 | 155|157|161|165|167|175|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|910|912|914|915|917|918|923|924|925|926|927|928|930|938|940|943|944|945|954|... | 20040916 | 001Chemical|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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|Acadechem|Accela ChemBio Inc.|Aceschem Inc|Achemica|Achemo Scientific Limited|Achemtek|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 COVID-19 Disease Map |
5280453 | Calcitriol | calcitriol|Rocaltrol|Calcijex|32222-06-3|1alpha,25-Dihydroxyvitamin D3|Topitriol|Silkis|1alpha,25-Dihydroxycholecalciferol|Soltriol|Vectical|1,25-DHCC|Calcitriolum|1,25-DIHYDROXYCHOLECALCIFEROL|1,25-Dihydroxyvitamin D|1,25-Dihydroxyvitamin D3|1alpha,25(OH)2D3|1alpha,25-Dihydroxyvitamin D|1-alpha,25-Dihydroxyvitamin D3|... | 416.600 | C27H44O3 | 60.700 | 688.000 | 5.100 | 30 | 3 | 3 | 6 | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C | CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C | GMRQFYUYWCNGIN-NKMMMXOESA-N | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | 416.329 | 416.329 | 0 | 1 | 0 | 6 | 6 | 0 | 2 | 2 | 0 | 23056 | 35528 | 8897 | 2D+3D | Calcitriol | 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... | 18 | 485|631|731|781|782|880|894|950|951|952|1001|1006|1007|1008|1009|1012|1016|1018|1019|1020|1021|1022|1027|1030|1032|1040|1048|1049|1051|1066|1085|1135|1136|1195|1203|1209|1214|1216|1217|1220|1222|1229|1236|1251|1274|1304|1321|1325|1359|1362|1376|1379|1385|1415|1416|1422|1423|1424|1434|1439|1440|1441|1443|1445|1446|1448|... | 20040916 | A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acmec Biochemical|ACT Chemical|AHH Chemical co.,ltd|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|Alsachim|Ambeed|ApexBio Technology|Aurora Fine Chemicals LLC|Aurum Pharmatech LL... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use|A - Alimentary tract and metabolism > A11 - Vitamins > A11C - Vitamin a and d, incl. combinations of the two > A11CC - Vitamin d and analogues|D000077264 - Calcium-Regulating Hormones and Agents|D049990 - Membrane Transport Modulators|D0... |
2244 | Aspirin | aspirin|ACETYLSALICYLIC ACID|50-78-2|2-Acetoxybenzoic acid|2-(Acetyloxy)benzoic acid|Acetosal|O-Acetylsalicylic acid|o-Acetoxybenzoic acid|Acenterine|Acetophen|Acylpyrin|Easprin|Ecotrin|Salicylic acid acetate|Acetosalin|Aspirdrops|Polopiryna|Salcetogen|Aceticyl|Acetonyl|Acetylin|Acetylsalicylate|Acidum acetylsalicylicu... | 180.160 | C9H8O4 | 63.600 | 212.000 | 1.200 | 13 | 1 | 4 | 3 | InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) | CC(=O)OC1=CC=CC=C1C(=O)O | CC(=O)OC1=CC=CC=C1C(=O)O | BSYNRYMUTXBXSQ-UHFFFAOYSA-N | 2-acetyloxybenzoic acid | 180.042 | 180.042 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 132031 | 400087 | 132537 | 2D+3D | Aspirin | 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... | 18 | 1|3|9|15|19|21|23|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|65|67|71|73|79|81|83|85|87|89|91|93|99|103|105|107|109|113|115|119|121|123|125|131|133|137|139|141|143|145|155|157|161|165|167|175|179|192|194|210|212|248|256|330|357|410|411|421|422|426|427|429|433|434|435|436|444|445|446|447|448|450|451|526|530|540|541|54... | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemica|Achemo Scientific Limited|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D002317 - Cardiovascular Agents|C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic|N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives|D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agen... |
802 | Indole-3-acetic acid | indole-3-acetic acid|87-51-4|indoleacetic acid|3-Indoleacetic acid|Heteroauxin|1H-Indole-3-acetic acid|1H-indol-3-ylacetic acid|2-(1H-Indol-3-yl)acetic acid|Rhizopin|auxin|Rhizopon A|Indol-3-ylacetic acid|3-(Carboxymethyl)indole|3-Indolylacetic acid|Hexteroauxin|3-Iaa|beta-Indoleacetic acid|indoleacetate|Acetic acid, i... | 175.180 | C10H9NO2 | 53.100 | 205.000 | 1.400 | 13 | 2 | 2 | 2 | InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) | C1=CC=C2C(=C1)C(=CN2)CC(=O)O | C1=CC=C2C(=C1)C(=CN2)CC(=O)O | SEOVTRFCIGRIMH-UHFFFAOYSA-N | 2-(1H-indol-3-yl)acetic acid | 175.063 | 175.063 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 17915 | 58363 | 24184 | 2D+3D | null | Agrochemical Information|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|S... | 18 | 155|157|161|165|167|175|330|342|422|608|811|833|1033|1044|1189|1194|1199|1205|1376|1385|1422|1465|1511|1529|1530|1531|1532|1549|1552|1554|1621|1626|1637|1648|1662|1663|1672|1792|1813|1814|1823|1832|1850|1863|1875|1885|1899|1903|1906|1910|1947|1950|1956|1962|1974|1979|1987|1996|2016|2023|2025|2029|2052|2057|2066|2094|20... | 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|Abbott Labs|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Aceschem Inc|Achemica|Achemo Scientific Lim... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
5957 | Adenosine-5'-triphosphate | Adenosine triphosphate|56-65-5|Adenosine 5'-triphosphate|ATP|adenosine-5'-triphosphate|Myotriphos|Striadyne|Triadenyl|Triphosphaden|Atriphos|Glucobasin|Adephos|Adetol|Adynol|Adenosine 5'-(tetrahydrogen triphosphate)|Atipi|5'-Atp|Triphosaden|Adenylpyrophosphoric acid|Adenosine 5'-triphosphoric acid|Triphosphoric acid ad... | 507.180 | C10H16N5O13P3 | 279.000 | 800.000 | -5.700 | 31 | 7 | 17 | 8 | InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(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)OP(=O)(O)O)O)O)N | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | 506.996 | 506.996 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 151718 | 58292 | 20243 | 2D+3D | Adenosine 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|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Information|Taxon... | 18 | 880|1030|1195|1457|1458|1460|1463|1468|1469|1471|1477|1479|1487|1490|1688|1766|1768|1811|1865|2101|2107|2112|2517|2528|2546|2549|2551|2662|17440|17441|17442|20490|20491|20492|20493|22448|22584|22585|22586|26386|27130|27131|27132|27133|30121|30122|34777|34901|34916|34926|35063|35067|35078|35103|50024|68445|68446|70375|7... | 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|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|ACT Che... | 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 |
5280793 | Ergocalciferol | ergocalciferol|Calciferol|VITAMIN D2|Viosterol|50-14-6|Ergorone|Deltalin|Drisdol|Ostelin|Oleovitamin D2|Ercalciol|Detalup|Sterogyl|Condocaps|Crystallina|Fortodyl|Mulsiferol|Radsterin|Condol|Deratol|Diactol|Ertron|Geltabs|Daral|Divit urto|Hi-Deratol|Calciferon 2|Dee-Ronal|Dee-Ron|Mykostin|Davitin|Decaps|Infron|Metadee|N... | 396.600 | C28H44O | 20.200 | 678.000 | 7.400 | 29 | 1 | 1 | 5 | InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1 | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C | CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C | MECHNRXZTMCUDQ-RKHKHRCZSA-N | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | 396.339 | 396.339 | 0 | 1 | 0 | 6 | 6 | 0 | 3 | 3 | 0 | 6560 | 40670 | 14221 | 2D+3D | Ergocalciferols | 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... | 18 | 377|1189|1199|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|323922|323923|323924|32392... | 20050624 | 10X CHEM|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|AbovChem LLC|Achemtek|ACT Chemical|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistry... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000077264 - Calcium-Regulating Hormones and Agents|A - Alimentary tract and metabolism > A11 - Vitamins > A11C - Vitamin a and d, incl. combinations of the two > A11CC - Vitamin d and analogues|D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols|D050071 - Bone Density Conservation Agents|COVID-19... |
6042 | vitamin B1 | vitamin B1|59-43-8|Thiamine chloride|Thiamine monochloride|Aneurine|Vitaneurin|Bethiamin|Oryzanin|Beivon|Apatate drape|3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride|Thiacoat|Tiamina|Thiaminum|Betabion|thiamine(1+) chloride|Vitamin b-1|Thiaminum [INN-Latin]|Tiamina [INN-Spa... | 300.810 | C12H17ClN4OS | 104.000 | 269.000 | null | 19 | 2 | 6 | 4 | InChI=1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1 | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-] | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-] | MYVIATVLJGTBFV-UHFFFAOYSA-M | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride | 300.081 | 300.081 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 35110 | 60092 | 21338 | 2D | Thiamine | 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... | 18 | 1195|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|1984|1986|1987|2006|2012|2013|2014|2016|2023|2025|2029|2052|... | 20050719 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Acorn PharmaTech Product List|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemist... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | A - Alimentary tract and metabolism > A11 - Vitamins > A11D - Vitamin b1, plain and in combination with vitamin b6 and b12 > A11DA - Vitamin b1, plain|D018977 - Micronutrients > D014815 - Vitamins|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from COVID-19 Disease Map |
5282379 | Isotretinoin | 4759-48-2|Isotretinoin|13-cis-Retinoic acid|Accutane|Claravis|Neovitamin A acid|13-cis-Vitamin A acid|Amnesteem|Roaccutane|Isotrex|Sotret|13-cis retinoic acid|Teriosal|ISOTRETINON|isotretinoino|Isotretinoine|Isotretinoinum|Absorica|Roaccutan|Roacutan|Isotane|13-RA|RETINOIC ACID, 13-cis-|Myorisan|Zenatane|Isotretinoine ... | 300.400 | C20H28O2 | 37.300 | 567.000 | 6.300 | 22 | 1 | 2 | 5 | InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14- | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C | SHGAZHPCJJPHSC-XFYACQKRSA-N | (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid | 300.209 | 300.209 | 0 | 1 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 5879 | 21956 | 5841 | 2D+3D | Isotretinoin | 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... | 18 | 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|1195|1332|1376|1379|1385|1422|1452|1454|1457|1458|1459|1460|1461|1463|1465|1467|1468|1469|1471|1476|1477|1478|1479|1487|1490|1511|1519|1529|1530|1531|1532|1554|1621|1626|1662|1663|1672|1705|1707|1708|1766|1768|1... | 20050624 | 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|AbovChem LLC|Ace Therapeutics|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Activate Scientific|Adooq BioScience|AHH Chemical co.,ltd|AK Scientific,... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D009676 - Noxae > D013723 - Teratogens|C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent|C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent|D003879 - Dermatologic Agents|D - Dermatologicals > D10 - Anti-acne preparations > D10B - Anti-acne preparat... |
2662 | Celecoxib | celecoxib|169590-42-5|Celebrex|Celebra|Onsenal|Celecox|Celocoxib|Xilebao|184007-95-2|SC-58635|YM177|4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE|SC 58635|4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide|YM 177|HSDB 7038|Celecoxibum|p-(5-p-Tolyl-3-(trifluoromethyl)... | 381.400 | C17H14F3N3O2S | 86.400 | 577.000 | 3.400 | 26 | 1 | 7 | 3 | InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F | CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F | RZEKVGVHFLEQIL-UHFFFAOYSA-N | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide | 381.076 | 381.076 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 15850 | 131818 | 25254 | 2D+3D | Celecoxib | 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... | 18 | 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|87|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|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|66... | 20050325 | 001Chemical|10X CHEM|3WAY PHARM INC|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|Accela ChemBio Inc.|Ace Therapeutics|Aceschem Inc|Acesobio|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech... | 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... |
4485 | Nifedipine | nifedipine|21829-25-4|Adalat|Procardia|Procardia XL|Adalat CC|Fenihidine|Citilat|Cordipin|Corinfar|Oxcord|Coracten|Fenihidin|dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate|Afeditab CR|Bay-a-1040|Nifediac|Nifedipinum|Adalate|Adapine|Nifedical|Afeditab|Cordafen|Cordaflex|Corynphar|Hexadilat... | 346.300 | C17H18N2O6 | 110.000 | 608.000 | 2.200 | 25 | 1 | 7 | 5 | InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC | HYIMSNHJOBLJNT-UHFFFAOYSA-N | dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | 346.116 | 346.116 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 34576 | 99809 | 25125 | 2D+3D | Nifedipine | 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... | 18 | 1|3|5|7|9|13|15|19|21|23|25|29|31|35|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|357|361|364|368|371|373|374|375|410|411|421|422|425|426|427|429|430|431|432|433|434|435|436|438|440|441|444|445|446|447|448|449|450|451... | 20040916 | 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|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemtek|Acmec Biochemical|ACT Chemical|Acti... | 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 > D014665 - Vasodilator Agents|D000077264 - Calcium-Regulating Hormones and Agents|C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C0... |
3957 | Loratadine | loratadine|79794-75-5|Claritin|Alavert|Loratidine|Clarityn|Lisino|Clarityne|Loracert|Loradex|Bonalerg|Claritine|Fristamin|Histaloran|Lertamine|Lorastine|Loratyne|Civeran|Loranox|Versal|Aerotina|Alerpriv|Allertidin|Anhissen|Claratyne|Lorantis|Loritine|Lowadina|Polaratyne|Restamine|Sensibit|Biloina|Lesidas|Loradif|Lorave... | 382.900 | C22H23ClN2O2 | 42.400 | 569.000 | 5.200 | 27 | 0 | 3 | 2 | InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1 | CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1 | JCCNYMKQOSZNPW-UHFFFAOYSA-N | ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate | 382.145 | 382.145 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4164 | 56657 | 16473 | 2D+3D | Loratadine | 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... | 18 | 1|3|5|7|9|13|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|91|93|95|97|99|101|103|105|107|109|113|115|119|121|123|125|129|133|137|139|141|143|145|357|361|364|368|371|373|374|375|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|... | 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|AbMole Bioscience|AbovChem LLC|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acme... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | 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 - Antihistamines for systemic use > R06A - Antihistamines for systemic use|D003879 - Derm... |
3715 | Indomethacin | indomethacin|53-86-1|indometacin|Indocin|Indomethacine|Indometacine|Indocid|Reumacide|Indomethazine|Metindol|Artrinovo|Confortid|Idomethine|Indomecol|Indomethacinum|Metartril|Methazine|Artrivia|Dolovin|Imbrilon|Indacin|Indomed|Indomee|Indoptol|Infrocin|Metacen|Sadoreum|Amuno|Inacid|Tannex|Indo-rectolmin|Inteban sp|Artr... | 357.800 | C19H16ClNO4 | 68.500 | 506.000 | 4.300 | 25 | 1 | 4 | 4 | InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O | CGIGDMFJXJATDK-UHFFFAOYSA-N | 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid | 357.077 | 357.077 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 55065 | 119922 | 35277 | 2D+3D | Indomethacin | 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... | 18 | 357|361|364|368|371|373|374|375|377|388|410|411|421|422|425|426|427|429|430|431|432|433|434|435|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|540|541|542|543|544|545|546|547|552|555|556|559|560|561|565|567|568|570|571|572|573|... | 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|Abbott Labs|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Aceschem Inc|Achemtek|A... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D002317 - Cardiovascular Agents|C - Cardiovascular system > C01 - Cardiac therapy|C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic|M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02A... |
126941 | Methotrexate | methotrexate|59-05-2|Rheumatrex|Amethopterin|Methylaminopterin|Metatrexan|Hdmtx|Abitrexate|Trexall|Mexate|Ledertrexate|Methylaminopterinum|(S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid|Methotrexatum|Antifolan|MTX|4-Amino-10-methylfolic acid|Amethopterine|Metotrexato|Emtexate|Maxt... | 454.400 | C20H22N8O5 | 211.000 | 704.000 | -1.800 | 33 | 5 | 12 | 9 | InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | FBOZXECLQNJBKD-ZDUSSCGKSA-N | (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid | 454.171 | 454.171 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 103870 | 298643 | 80857 | 2D+3D | Methotrexate | 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... | 18 | 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|111|113|115|117|119|121|123|125|127|129|131|133|135|137|139|141|143|145|147|149|151|153|155|157|159|161|163|165|167|169|171|173|175|177|179|180|182|184|186... | 20050624 | 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|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|ACT Chemical|Activa... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents|D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists|D018501 - Antirheumatic Agents|D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents|L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immun... |
3672 | Ibuprofen | ibuprofen|15687-27-1|2-(4-Isobutylphenyl)propanoic acid|Motrin|Brufen|Advil|Nurofen|Dolgit|Liptan|Medipren|Nuprin|Anflagen|Buburone|Butylenin|Ibuprocin|Lamidon|Ebufac|Ibumetin|Mynosedin|Roidenin|Andran|Apsifen|Bluton|Epobron|Haltran|Nobfen|Nobgen|Trendar|Adran|PediaProfen|Rufen|2-[4-(2-methylpropyl)phenyl]propanoic aci... | 206.280 | C13H18O2 | 37.300 | 203.000 | 3.500 | 15 | 1 | 2 | 4 | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O | HEFNNWSXXWATRW-UHFFFAOYSA-N | 2-[4-(2-methylpropyl)phenyl]propanoic acid | 206.131 | 206.131 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 37777 | 160550 | 47534 | 2D+3D | Ibuprofen | 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... | 18 | 1|3|9|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|97|99|103|105|107|109|113|115|119|121|123|125|131|133|137|139|141|143|145|155|157|161|165|167|175|179|248|357|361|364|368|371|372|373|374|375|411|422|425|429|430|431|432|436|438|440|441|444|446|449|450|453|454|455|456|... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|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|Acadechem|Accela ChemBio Inc.|Aceschem Inc|Achemica|Achemo Scientific... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C - Cardiovascular system > C01 - Cardiac therapy|G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CC - Antiinflammatory products for vaginal administration|C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic|M - Musc... |
44093 | Captopril | captopril|62571-86-2|Capoten|L-Captopril|Captopryl|Lopirin|Cesplon|Garranil|Acepress|Captolane|Captoril|Tensoprel|Dilabar|Hypertil|Tenosbon|Alopresin|Captoprilum|Acepril|Apopril|Lopril|Acediur|Aceplus|Asisten|Farcopril|Hypopress|Isopresol|Tensiomin|Tensobon|Zapto|SQ-14225|(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrro... | 217.290 | C9H15NO3S | 58.600 | 244.000 | 0.300 | 14 | 2 | 4 | 3 | InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O | CC(CS)C(=O)N1CCCC1C(=O)O | FAKRSMQSSFJEIM-RQJHMYQMSA-N | (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid | 217.077 | 217.077 | 0 | 1 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 23029 | 83051 | 17893 | 2D+3D | Captopril | 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... | 18 | 357|361|364|368|371|373|374|375|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|547|552|555|556|559|560|561|565|567|568|570|571|572|573|574|575|576|577|580|581|583|584|585|587|588|589|590|591|592|... | 20050624 | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemtek|Acmec Biochemical|Acorn PharmaTech P... | 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... |
3749 | Irbesartan | irbesartan|138402-11-6|Avapro|Aprovel|Karvea|SR-47436|BMS-186295|Irbesartan BMS|Irbesartan Zentiva|Irbesartan-d3|SR 47436|Sarbevel|BMS 186295|Irbesartan teva|Irbesartan Krka|Irbesartan Winthrop|Irbesartan free base|NSC-758696|UNII-J0E2756Z7N|CHEBI:5959|DTXSID0023169|HSDB 8215|J0E2756Z7N|MFCD00864464|3-((2'-(1H-Tetrazol... | 428.500 | C25H28N6O | 87.100 | 682.000 | 4.100 | 32 | 1 | 5 | 7 | InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 | CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 | YOSHYTLCDANDAN-UHFFFAOYSA-N | 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one | 428.232 | 428.232 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5027 | 39379 | 7288 | 2D+3D | Irbesartan | 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... | 18 | 485|631|731|781|782|875|880|881|884|885|887|889|892|893|894|900|902|910|923|924|927|930|940|950|951|952|995|1001|1006|1007|1008|1009|1012|1016|1018|1019|1020|1021|1022|1027|1030|1032|1040|1048|1049|1051|1066|1085|1135|1136|1195|1203|1209|1214|1216|1217|1220|1222|1229|1236|1251|1274|1304|1321|1325|1359|1362|1376|1379|13... | 20050325 | 001Chemical|10X CHEM|1st Scientific|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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela Ch... | 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 ... |
774 | Histamine | histamine|51-45-6|2-(1H-imidazol-5-yl)ethanamine|1H-Imidazole-4-ethanamine|Ergamine|Ergotidine|2-(4-Imidazolyl)ethylamine|5-Imidazoleethylamine|Eramin|Theramine|2-(1H-Imidazol-4-yl)ethanamine|Free histamine|65592-96-3|beta-Aminoethylimidazole|2-Imidazol-4-ylethylamine|Imidazole-4-ethylamine|4-(2-Aminoethyl)-1H-imidazol... | 111.150 | C5H9N3 | 54.700 | 64.700 | -0.700 | 8 | 2 | 2 | 2 | InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) | C1=C(NC=N1)CCN | C1=C(NC=N1)CCN | NTYJJOPFIAHURM-UHFFFAOYSA-N | 2-(1H-imidazol-5-yl)ethanamine | 111.08 | 111.08 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 98428 | 11296 | 4945 | 2D+3D | Histamine | 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... | 18 | 357|410|411|444|445|446|447|448|450|451|485|526|530|584|585|587|588|589|590|591|592|593|594|595|596|597|603|605|607|608|631|662|731|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|879|880|881|883|884|885|886|887|889|891|892|893|894|895|898|899|900|901|902|... | 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|Acadechem|Accela ChemBio Inc.|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C308 - Immunotherapeutic Agent > C2139 - Immunostimulant|D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank |
985 | Palmitic Acid | palmitic acid|Hexadecanoic acid|57-10-3|Cetylic acid|palmitate|n-Hexadecanoic acid|Hexadecylic acid|1-Pentadecanecarboxylic acid|Hydrofol|n-Hexadecoic acid|Palmitinic acid|hexaectylic acid|Pentadecanecarboxylic acid|1-Hexyldecanoic Acid|Industrene 4516|Emersol 140|Emersol 143|Hystrene 8016|Hystrene 9016|hexadecoic acid... | 256.420 | C16H32O2 | 37.300 | 178.000 | 6.400 | 18 | 1 | 2 | 14 | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) | CCCCCCCCCCCCCCCC(=O)O | CCCCCCCCCCCCCCCC(=O)O | IPCSVZSSVZVIGE-UHFFFAOYSA-N | hexadecanoic acid | 256.24 | 256.24 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 34159 | 280417 | 101996 | 2D+3D | Palmitic Acid | 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... | 18 | 155|157|161|165|167|175|248|330|880|1201|1469|1471|1479|1487|1490|1688|1766|1768|2528|2546|2551|2662|18491|18492|18493|18494|18495|18496|18497|18498|18499|18665|18666|18667|18668|18669|18670|18671|18672|18673|18674|18675|18676|18677|18678|18679|18680|18681|18682|18683|18684|18685|32788|40631|71607|241812|241834|241835|... | 20040916 | 001Chemical|10X CHEM|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|Acadechem|Accela ChemBio Inc.|Achemica|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 | D004791 - Enzyme Inhibitors|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from WikiPathways |
5329 | Sulfamethoxazole | sulfamethoxazole|723-46-6|Gantanol|Sulphamethoxazole|Sulfisomezole|Sulfamethoxazol|Metoxal|4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide|Sulfamethylisoxazole|Simsinomin|Radonil|Sinomin|Sulphamethoxazol|Sulpha-methoxizole|Sulfamethalazole|Azo-gantanol|Sulphamethylisoxazole|4-amino-N-(5-methylisoxazol-3-yl)benzenes... | 253.280 | C10H11N3O3S | 107.000 | 346.000 | 0.900 | 17 | 2 | 6 | 3 | InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13) | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N | JLKIGFTWXXRPMT-UHFFFAOYSA-N | 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide | 253.052 | 253.052 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 21362 | 42950 | 12961 | 2D+3D | Sulfamethoxazole | 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... | 18 | 179|190|192|248|330|357|361|364|368|371|373|374|375|377|410|411|421|422|425|426|427|429|430|431|432|433|434|435|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|540|541|542|543|544|545|546|552|555|556|559|560|561|565|567|568|570|... | 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|Accela ChemBio Inc.|Achemo Scientif... | 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 > J01EC - Intermediate-acting sulfonamides|C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent|COVID-19|COVID19|Coronavirus|Co... |
969516 | Curcumin | curcumin|458-37-7|Diferuloylmethane|Natural yellow 3|Kacha haldi|Indian saffron|Curcuma|Gelbwurz|Haldar|Curcumin I|Souchet|Haidr|Halad|Halud|Yellow Ginger|Terra Merita|(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione|Safran d'Inde|Yo-Kin|C.I. Natural Yellow 3|Yellow puccoon|Golden seal|Diferaloylmeth... | 368.400 | C21H20O6 | 93.100 | 507.000 | 3.200 | 27 | 2 | 6 | 8 | InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ | COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O | COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O | VFLDPWHFBUODDF-FCXRPNKRSA-N | (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione | 368.126 | 368.126 | 0 | 1 | 0 | 0 | 0 | 0 | 2 | 2 | 0 | 28385 | 55386 | 20617 | 2D+3D | Curcumin | 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... | 18 | 1|3|5|7|9|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|115|119|121|123|125|129|131|133|137|139|141|143|145|155|157|161|165|167|175|179|330|357|361|364|368|371|373|374|375|382|383|384|389|393|396|397|411|421|422|425|426|427|429|430|431|4... | 20040916 | 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|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientif... | 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|C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor|D018501 - Antirheumatic Agents|C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor|D004791 - Enzyme Inhibitors|D000970 - ... |
216239 | Sorafenib | Sorafenib|284461-73-0|Nexavar|BAY 43-9006|sorafenibum|4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)-N-METHYLPICOLINAMIDE|4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide|Sorafenib free base|4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-... | 464.800 | C21H16ClF3N4O3 | 92.400 | 646.000 | 4.100 | 32 | 3 | 7 | 5 | InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(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 | MLDQJTXFUGDVEO-UHFFFAOYSA-N | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide | 464.086 | 464.086 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8241 | 85053 | 16867 | 2D+3D | Sorafenib | 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... | 18 | 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|395|1433|1471|1490|1688|1766|1768|2465|2528|2546|2551|2662|165771|247229|247421|247797|256559|256560|256561|256562|256563|256564|... | 20050326 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|A2Z Chemical|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|Abbott Labs|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Accela ChemBio Inc.|Aceschem Inc|Acesobio|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Produ... | 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|C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor|C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor|C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > ... |
311 | Citric Acid | citric acid|77-92-9|Citric acid, anhydrous|2-hydroxypropane-1,2,3-tricarboxylic acid|Anhydrous citric acid|Aciletten|Citro|Citretten|Chemfill|Citric acid anhydrous|Hydrocerol A|1,2,3-Propanetricarboxylic acid, 2-hydroxy-|Kyselina citronova|2-hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxytricarballylic acid|Caswell N... | 192.120 | C6H8O7 | 132.000 | 227.000 | -1.700 | 13 | 4 | 7 | 5 | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | KRKNYBCHXYNGOX-UHFFFAOYSA-N | 2-hydroxypropane-1,2,3-tricarboxylic acid | 192.027 | 192.027 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 78809 | 197515 | 110356 | 2D+3D | Citric Acid | 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... | 18 | 155|157|161|165|167|175|179|248|256|328|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|... | 20040916 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific 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|AbovC... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C26170 - Protective Agent > C275 - Antioxidant|A - Alimentary tract and metabolism > A09 - Digestives, incl. enzymes > A09A - Digestives, incl. enzymes > A09AB - Acid preparations|D006401 - Hematologic Agents > D000925 - Anticoagulants|D064449 - Sequestering Agents > D002614 - Chelating Agents > D065096 - Calcium Chela... |
6167 | Colchicine | colchicine|64-86-8|Colchisol|Colchicinum|Colchicin|Colchicina|Colchineos|Condylon|Colcin|Colsaloid|Colcrys|7alphaH-Colchicine|Goutnil|Kolkicin|(S)-colchicine|(-)-colchicine|Colchysat|Mitigare|spindle poison|7-alpha-H-Colchicine|NSC 757|CCRIS 691|Colchcine|NSC757|N-Acetyl trimethylcolchicinic acid methylether|HSDB 3044|... | 399.400 | C22H25NO6 | 83.100 | 740.000 | 1.000 | 29 | 1 | 6 | 5 | InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1 | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC | IAKHMKGGTNLKSZ-INIZCTEOSA-N | N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide | 399.168 | 399.168 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 37986 | 113291 | 31427 | 2D+3D | Colchicine | 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... | 18 | 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|111|113|115|117|119|121|123|125|127|129|131|133|135|137|139|141|143|145|155|157|161|165|167|175|179|184|186|192|194|200|206|212|216|220|222|224|230|246|248... | 20050326 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Adooq BioScience|AEchem Scientific Corp., USA|AHH Chemical ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents|C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent|M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AC - Preparations with no effect on uric acid metabolism|D05025... |
54454 | Simvastatin | simvastatin|79902-63-9|Zocor|Synvinolin|Sinvacor|Denan|Lipex|MK-733|Sivastin|Lodales|Cholestat|Simvastatine|Colemin|Medipo|Pantok|Simovil|Labistatin|Simvastatina|Simvastatinum|Velostatin|Coledis|Corolin|Nivelipol|Rendapid|Vasotenal|Zorced|Rechol|Zocord|Simvastatin (Zocor)|Simvastatin lactone|Lipovas|Simcard|Simvacor|Si... | 418.600 | C25H38O5 | 72.800 | 706.000 | 4.700 | 30 | 1 | 5 | 7 | InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 | CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C | CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C | RYMZZMVNJRMUDD-HGQWONQESA-N | [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate | 418.272 | 418.272 | 0 | 1 | 0 | 7 | 7 | 0 | 0 | 0 | 0 | 56418 | 132253 | 30075 | 2D+3D | Simvastatin | 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... | 18 | 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|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|377|410|411|445|447|448|450|451|526|530|584|585|587|588|589|590|591|592|593|594|595|596|597|603|60... | 20050624 | 001Chemical|3B Scientific (Wuhan) Corp|A&J Pharmtech CO., LTD.|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 Corp., USA|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 | 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 ... |
4477 | Niclosamide | niclosamide|50-65-7|5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide|Niclocide|Bayluscid|Phenasal|Cestocid|Devermin|Devermine|Helmiantin|Mansonil|Radeverm|Tredemine|Vermitid|Atenase|Fenasal|Iomesan|Iomezan|Lintex|Nasemo|Sagimid|Sulqui|Yomesan|Mato|Fedal-Telmin|2',5-Dichloro-4'-nitrosalicylanilide|Zestocarp|Bayer ... | 327.120 | C13H8Cl2N2O4 | 95.200 | 404.000 | 4.000 | 21 | 2 | 4 | 2 | InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19) | C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O | C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O | RJMUSRYZPJIFPJ-UHFFFAOYSA-N | 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide | 325.986 | 325.986 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2138 | 17364 | 5774 | 2D+3D | Niclosamide | 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... | 18 | 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|248|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|6... | 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|AbMole Bioscience|AbovChem LLC|Acadechem|Achemtek|Acmec Biochemical|AHH Chemical co.,ltd|A... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent|D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics|D010575 - Pesticides > D008975 - Molluscacides|P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02D - Anticest... |
5833 | Spironolactone | spironolactone|52-01-7|Aldactone|Spirolactone|Verospirone|Euteberol|Verospiron|Spirolang|Acelat|Spironocompren|Melarcon|Spiresis|Spiridon|Spiroctan|Uractone|Urusonin|Alderon|Spirone|Xenalon|Dira|Spiro-Tablinen|Aldactone A|Spironolactone A|spironolattone|Spironolactonum|Aldopur|Aquareduct|Espironolactona|Almatol|Deverol... | 416.600 | C24H32O4S | 85.700 | 818.000 | 2.900 | 29 | 0 | 5 | 2 | InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C | CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C | LXMSZDCAJNLERA-ZHYRCANASA-N | S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate | 416.202 | 416.202 | 0 | 1 | 0 | 7 | 7 | 0 | 0 | 0 | 0 | 21530 | 60269 | 15346 | 2D+3D | Spironolactone | 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... | 18 | 248|256|1332|1376|1385|1422|1465|1469|1479|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|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|2270|22... | 20050326 | 001Chemical|10X CHEM|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|Achemtek|Acorn PharmaTech Product List|ACT Chemical|Activate Scientific|AEchem Scientific Corp., USA|AK Scient... | 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... |
6305 | Tryptophan | L-tryptophan|tryptophan|73-22-3|h-Trp-oh|L-Tryptophane|(S)-Tryptophan|Tryptophane|trofan|tryptacin|Ardeytropin|Optimax|Pacitron|(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid|Indole-3-alanine|Kalma|L-beta-3-Indolylalanine|L-Tryptofan|L-Trp|L-(-)-Tryptophan|3-Indol-3-ylalanine|(-)-Tryptophan|Tryptophan (H-3)|1-beta-3-Indo... | 204.220 | C11H12N2O2 | 79.100 | 245.000 | -1.100 | 15 | 3 | 3 | 3 | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N | QIVBCDIJIAJPQS-VIFPVBQESA-N | (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | 204.09 | 204.09 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 93113 | 360637 | 109462 | 2D+3D | Tryptophan | 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... | 18 | 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|945|954|957|958|959|992|... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|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|Acadechem|Achemo Scientific Limited|Achemtek|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants|D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank |
71616 | Voriconazole | Voriconazole|137234-62-9|Vfend|(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|UK-109496|(+/-)-Voriconazole|Voriconazol|Voriconazolum|Vorikonazole|Voriconazole Vfend|UK-109,496|(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol|DRG-03... | 349.310 | C16H14F3N5O | 76.700 | 448.000 | 1.500 | 25 | 1 | 8 | 5 | InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1 | C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O | CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O | BCEHBSKCWLPMDN-MGPLVRAMSA-N | (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol | 349.115 | 349.115 | 0 | 1 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 13902 | 24573 | 5386 | 2D+3D | Voriconazole | Agrochemical Information|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|Bi... | 18 | 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|1359|1362|1376|1385|1415|1416|1422|1423|1424|1434|1439|1440|1441|1443|1445|1446|1448|1454|1456|1460|1461|1463... | 20050624 | 001Chemical|10X CHEM|1st Scientific|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Aceschem Inc|Achemtek|Acorn PharmaTech Product List|Activate Scientific|Adooq BioScience|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|A... | 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|C254 - Anti-Infective Ag... |
244 | Benzyl Alcohol | benzyl alcohol|phenylmethanol|benzenemethanol|100-51-6|phenylcarbinol|benzylalcohol|Benzoyl alcohol|Benzenecarbinol|alpha-Toluenol|Phenylmethyl alcohol|Hydroxytoluene|(Hydroxymethyl)benzene|Phenolcarbinol|Benzal alcohol|benzylic alcohol|Alcool benzylique|Benzylicum|Methanol, phenyl-|Phenylcarbinolum|alpha-hydroxytoluen... | 108.140 | C7H8O | 20.200 | 55.400 | 1.100 | 8 | 1 | 1 | 1 | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 | C1=CC=C(C=C1)CO | C1=CC=C(C=C1)CO | WVDDGKGOMKODPV-UHFFFAOYSA-N | phenylmethanol | 108.058 | 108.058 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 16221 | 430390 | 147130 | 2D+3D | Benzyl Alcohol | 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... | 18 | 155|157|161|165|167|175|192|248|328|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|... | 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|abcr GmbH|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Ace Therapeutics|Aceschem Inc|Achemica|Achemtek|Acmec Biochemical|Adooq BioScience|AEchem Scientific Corp.,... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics|C254 - Anti-Infective Agent > C2839... |
5754 | Hydrocortisone | hydrocortisone|Cortisol|50-23-7|Acticort|Cetacort|Cortef|Hydrasson|Hydrocortisyl|Hydrocortone|Cobadex|Hytone|Cortenema|Cortril|Dermacort|Proctocort|Hycort|Signef|17-Hydroxycorticosterone|Optef|Kendall's compound F|Cort-Dome|Cortanal|Corticreme|Cortifan|Cortiment|Cortispray|Cortonema|Dermolate|Efcorbin|Efcortelan|Eldeco... | 362.500 | C21H30O5 | 94.800 | 684.000 | 1.600 | 26 | 3 | 5 | 2 | InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O | JYGXADMDTFJGBT-VWUMJDOOSA-N | (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | 362.209 | 362.209 | 0 | 1 | 0 | 7 | 7 | 0 | 0 | 0 | 0 | 150321 | 148927 | 44906 | 2D+3D | Hydrocortisone | 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... | 18 | 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|87|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|155|157|161|165|167|175|180|190|192|206|210|212|220|248|250|258|264|268|270|276|296|316|328|357|361|364|368|371|373|374|375|37... | 20040916 | 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|Achemtek|Acmec Biochemical|Acorn PharmaTech Pro... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AA - Corticosteroids, weak (group i)|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therape... |
1983 | Acetaminophen | acetaminophen|Paracetamol|4-Acetamidophenol|103-90-2|Tylenol|N-(4-Hydroxyphenyl)acetamide|APAP|Panadol|N-Acetyl-p-aminophenol|Acetaminofen|Datril|4'-Hydroxyacetanilide|p-Hydroxyacetanilide|p-Acetamidophenol|Algotropyl|Doliprane|Injectapap|Lonarid|Naprinol|Acenol|Biocetamol|Febridol|Servigesic|Vermidon|Acamol|Alpiny|Ane... | 151.160 | C8H9NO2 | 49.300 | 139.000 | 0.500 | 11 | 2 | 2 | 1 | InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) | CC(=O)NC1=CC=C(C=C1)O | CC(=O)NC1=CC=C(C=C1)O | RZVAJINKPMORJF-UHFFFAOYSA-N | N-(4-hydroxyphenyl)acetamide | 151.063 | 151.063 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 72060 | 124556 | 45423 | 2D+3D | Acetaminophen | 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... | 18 | 155|157|161|165|167|175|248|357|377|410|411|421|426|427|433|434|435|444|445|446|447|448|450|451|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|654|655|656|657|658|659|660|661|662|663|664|665|666|667|875|880|881|883|884|885|886|887|889|891|892|893|894|899|900|901|902|... | 20040916 | 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|Accela ChemBio Inc.|Achemica|Achemo Scientific ... | 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|N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides|D002491 - Central Nervous System Agents > D000700 - Analgesics|D018373 - Peripheral Nervous System Agents > D018689 - Senso... |
5147 | Salicylamide | salicylamide|2-Hydroxybenzamide|65-45-2|o-Hydroxybenzamide|2-Carbamoylphenol|Salicylic acid amide|Benzamide, 2-hydroxy-|Urtosal|2-Carboxamidophenol|Algiamida|Amidosal|Dolomide|Dropsprin|Eggosalil|Flarpirina|Liquiprin|Morsarinas|Panithal|Raspberin|Salamide|Saliamid|Saliamin|Salizell|Serramida|Algamon|Allevin|Anamid|Anda... | 137.140 | C7H7NO2 | 63.300 | 136.000 | 1.300 | 10 | 2 | 2 | 1 | InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) | C1=CC=C(C(=C1)C(=O)N)O | C1=CC=C(C(=C1)C(=O)N)O | SKZKKFZAGNVIMN-UHFFFAOYSA-N | 2-hydroxybenzamide | 137.048 | 137.048 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2349 | 28981 | 11300 | 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... | 18 | 155|157|161|165|167|175|421|422|426|427|433|434|435|436|445|485|530|540|541|542|543|544|545|546|568|583|584|585|595|596|598|602|603|605|618|620|629|630|631|633|639|648|654|655|656|657|658|659|660|661|662|663|664|665|666|667|687|701|719|731|745|750|757|758|759|760|761|764|775|781|782|793|797|798|799|800|803|804|817|818|... | 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|Acadechem|Accela ChemBio Inc.|Achemica|Achemo Scientific Limited|Achemtek|Ac... | 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|N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives|D018501 - Antirheumatic Agents|D002491 - Central Nervous System Agents > D000700 - Analgesics|D018373... |
84029 | Clarithromycin | clarithromycin|81103-11-9|Biaxin|6-O-Methylerythromycin|Klaricid|Clarithromycine|Clathromycin|Macladin|Klacid|Veclam|Abbott-56268|Erythromycin, 6-O-methyl-|6-O-Methylerythromycin a|Mavid|Naxy|Clarith|Cyllind|Kofron|Zeclar|Clarithromycinum|Biaxin XL|A-56268|Claritromicina|TE-031|Astromen|Bicrolid|Clambiotic|Claribid|Cla... | 748.000 | C38H69NO13 | 183.000 | 1190.000 | 3.200 | 52 | 4 | 14 | 8 | InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 | CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O | CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O | AGOYDEPGAOXOCK-KCBOHYOISA-N | (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione | 747.477 | 747.477 | 0 | 1 | 0 | 18 | 18 | 0 | 0 | 0 | 0 | 12803 | 70404 | 18529 | 2D | Clarithromycin | 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... | 18 | 485|631|731|781|782|880|940|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|... | 20050624 | 10X CHEM|3B Scientific (Wuhan) Corp|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|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AHH Chemical co.,ltd|AK Scientific, Inc. (AKS... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors|C784 - Protein Synthesis Inhibitor > C261 - Macrolide Antibiotic|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors|C254 - Anti-Infective Agent > C258 - Antibiotic|D000890 - Anti-In... |
6140 | Phenylalanine | L-phenylalanine|phenylalanine|63-91-2|(S)-2-Amino-3-phenylpropanoic acid|3-Phenyl-L-alanine|(2S)-2-amino-3-phenylpropanoic acid|(S)-Phenylalanine|(L)-Phenylalanine|3-Phenylalanine|(S)-2-Amino-3-phenylpropionic acid|beta-Phenyl-L-alanine|Antibiotic FN 1636|H-Phe-OH|L-Alanine, phenyl-|Alanine, 3-phenyl-|L-Antibiotic FN 1... | 165.190 | C9H11NO2 | 63.300 | 153.000 | -1.500 | 12 | 2 | 3 | 3 | InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 | C1=CC=C(C=C1)C[C@@H](C(=O)O)N | C1=CC=C(C=C1)CC(C(=O)O)N | COLNVLDHVKWLRT-QMMMGPOBSA-N | (2S)-2-amino-3-phenylpropanoic acid | 165.079 | 165.079 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 68727 | 347282 | 106104 | 2D+3D | Phenylalanine | 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... | 18 | 348|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|630|662|875|880|881|883|884|885|886|887|889|891|892|893|894|899|900|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|... | 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|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Produ... | 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 |
6322 | Arginine | L-arginine|arginine|74-79-3|L-(+)-Arginine|(S)-2-Amino-5-guanidinopentanoic acid|L-Arg|H-Arg-OH|L(+)-Arginine|(L)-Arginine|Arginina|ARGININE, L-|Arginine (VAN)|L-Arginin|Argininum [INN-Latin]|Arginina [INN-Spanish]|L-Ornithine, N5-(aminoiminomethyl)-|arg|L-alpha-Amino-delta-guanidinovaleric acid|1-Amino-4-guanidovaleri... | 174.200 | C6H14N4O2 | 128.000 | 176.000 | -4.200 | 12 | 4 | 4 | 5 | InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 | C(C[C@@H](C(=O)O)N)CN=C(N)N | C(CC(C(=O)O)N)CN=C(N)N | ODKSFYDXXFIFQN-BYPYZUCNSA-N | (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid | 174.112 | 174.112 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 126562 | 90926 | 30050 | 2D+3D | Arginine | 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... | 18 | 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... | 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|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Ace Therapeutics|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 clinicaltrial, clinicaltrials, clinical trial, clinical trials |
3830 | Kinetin | kinetin|525-79-1|6-Furfurylaminopurine|6-Furfuryladenine|6-(Furfurylamino)purine|N6-Furfuryladenine|N-Furfuryladenine|Cytokinin|N-(furan-2-ylmethyl)-9H-purin-6-amine|N-(furan-2-ylmethyl)-7H-purin-6-amine|N6-(Furfurylamino)purine|1H-PURIN-6-AMINE, N-(2-FURANYLMETHYL)-|Furfuryl(purin-6-yl)amine|Adenine, N-furfuryl-|N(sup... | 215.210 | C10H9N5O | 79.600 | 239.000 | 1.000 | 16 | 2 | 5 | 3 | InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15) | C1=COC(=C1)CNC2=NC=NC3=C2NC=N3 | C1=COC(=C1)CNC2=NC=NC3=C2NC=N3 | QANMHLXAZMSUEX-UHFFFAOYSA-N | N-(furan-2-ylmethyl)-7H-purin-6-amine | 215.081 | 215.081 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13995 | 20050 | 7816 | 2D+3D | Kinetin | Agrochemical Information|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|S... | 18 | 248|328|357|368|373|374|377|410|411|422|425|429|430|431|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|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|608|612|618|620|626|... | 20050325 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|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|AbovChem LLC|Acadechem|Accela ChemB... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank |
6106 | Leucine | L-leucine|leucine|61-90-5|(S)-Leucine|H-Leu-OH|(S)-2-Amino-4-methylpentanoic acid|(2S)-2-amino-4-methylpentanoic acid|Leucin|(S)-(+)-Leucine|leu|Leucinum|L-Norvaline, 4-methyl-|LEUCINE, L-|FEMA No. 3297|(S)-2-Amino-4-methylvaleric acid|L-alpha-Aminoisocaproic acid|Leucin [German]|Leucine (VAN)|Leucina|(2S)-alpha-leucin... | 131.170 | C6H13NO2 | 63.300 | 101.000 | -1.500 | 9 | 2 | 3 | 3 | InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 | CC(C)C[C@@H](C(=O)O)N | CC(C)CC(C(=O)O)N | ROHFNLRQFUQHCH-YFKPBYRVSA-N | (2S)-2-amino-4-methylpentanoic acid | 131.095 | 131.095 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 86692 | 408607 | 123193 | 2D+3D | Leucine | 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... | 18 | 348|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|630|662|875|880|881|883|884|885|886|887|889|891|892|893|894|899|900|902|912|914|915|923|924|925|926|938|940|995|1030|1195|1379|1422|1452|1457|1458|1471|1476|1478|1811|1851|1948|2326|15711|18849|18861|2126... | 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|AHH Chemical co.,ltd... | 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 |
6288 | Threonine | L-threonine|threonine|72-19-5|(2S,3R)-2-amino-3-hydroxybutanoic acid|Threonin|L-(-)-Threonine|DL-Threonine|(S)-Threonine|H-Thr-OH|2-amino-3-hydroxybutyric acid|80-68-2|Threonine, L-|Threonine (VAN)|Threoninum [Latin]|Treonina [Spanish]|thre|Threoninum|Treonina|(2S,3R)-2-Amino-3-hydroxybutyric acid|Threonine [USAN:INN]|... | 119.120 | C4H9NO3 | 83.600 | 93.300 | -2.900 | 8 | 3 | 4 | 2 | InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 | C[C@H]([C@@H](C(=O)O)N)O | CC(C(C(=O)O)N)O | AYFVYJQAPQTCCC-GBXIJSLDSA-N | (2S,3R)-2-amino-3-hydroxybutanoic acid | 119.058 | 119.058 | 0 | 1 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 50454 | 42076 | 17263 | 2D+3D | Threonine | 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... | 18 | 26797|157604|233320|500825|588834|651631|651632|651633|651634|651635|652048|652051|681113|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|743040... | 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 |
5280450 | Linoleic Acid | linoleic acid|60-33-3|Linolic acid|(9Z,12Z)-octadeca-9,12-dienoic acid|Telfairic acid|cis,cis-Linoleic acid|Linoleate|Emersol 315|9,12-Linoleic acid|cis,cis-9,12-Octadecadienoic acid|Unifac 6550|9Z,12Z-Linoleic acid|cis-9,cis-12-Octadecadienoic acid|Emersol 310|(Z,Z)-9,12-Octadecadienoic acid|Extra Linoleic 90|9Z,12Z-o... | 280.400 | C18H32O2 | 37.300 | 267.000 | 6.800 | 20 | 1 | 2 | 14 | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | CCCCCC=CCC=CCCCCCCCC(=O)O | OYHQOLUKZRVURQ-HZJYTTRNSA-N | (9Z,12Z)-octadeca-9,12-dienoic acid | 280.24 | 280.24 | 0 | 1 | 0 | 0 | 0 | 0 | 2 | 2 | 0 | 36502 | 195605 | 74969 | 2D+3D | Linoleic Acid | 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... | 18 | 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|974|975|976|977|978|979|... | 20040916 | 3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|abcr GmbH|ABI Chem|AbMole Bioscience|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|A... | 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, WikiPathways |
1102 | Spermidine | spermidine|124-20-9|1,5,10-Triazadecane|4-Azaoctamethylenediamine|N1-(3-Aminopropyl)butane-1,4-diamine|Spermidin|4-Azaoctane-1,8-diamine|N-(3-aminopropyl)butane-1,4-diamine|1,4-Butanediamine, N-(3-aminopropyl)-|N-(3-Aminopropyl)-1,4-butanediamine|1,8-Diamino-4-azaoctane|N'-(3-aminopropyl)butane-1,4-diamine|1,4-Butanedi... | 145.250 | C7H19N3 | 64.099 | 56.800 | -1.000 | 10 | 3 | 3 | 7 | InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 | C(CCNCCCN)CN | C(CCNCCCN)CN | ATHGHQPFGPMSJY-UHFFFAOYSA-N | N'-(3-aminopropyl)butane-1,4-diamine | 145.158 | 145.158 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 18139 | 70272 | 18635 | 2D+3D | Spermidine | 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... | 18 | 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|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|1033|1379|1452|1454|1457|14... | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Achemica|Achemtek|Acorn PharmaTech Product List|Ac... | 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 |
5951 | Serine | L-serine|serine|56-45-1|(S)-2-Amino-3-hydroxypropanoic acid|H-Ser-OH|(S)-Serine|beta-Hydroxyalanine|L-ser|L-(-)-Serine|Serine, L-|(2S)-2-amino-3-hydroxypropanoic acid|L-Serin|L-3-Hydroxy-alanine|2-Amino-3-hydroxypropionic acid|beta-Hydroxy-L-alanine|Serinum [Latin]|SER (IUPAC abbrev)|Serina [Spanish]|L-2-Amino-3-hydrox... | 105.090 | C3H7NO3 | 83.600 | 72.600 | -3.100 | 7 | 3 | 4 | 2 | InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 | C([C@@H](C(=O)O)N)O | C(C(C(=O)O)N)O | MTCFGRXMJLQNBG-REOHCLBHSA-N | (2S)-2-amino-3-hydroxypropanoic acid | 105.043 | 105.043 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 115952 | 9465 | 4334 | 2D+3D | Serine | 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... | 18 | 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|1379|1452|1454|1457|1460|1463|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|ABBLIS Chemicals|abcr GmbH|ABI Chem|Acadechem|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|ACT... | 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 |
36462 | Etoposide | etoposide|VePesid|33419-42-0|Toposar|trans-Etoposide|(-)-Etoposide|Lastet|Zuyeyidal|Etoposidum|Etoposido|Etoposidum [INN-Latin]|VP-16|Etoposide (VP16)|VP 16 (pharmaceutical)|Sintopozid|Vepesid J|VP-16-213|VP 16-213|Etoposido [INN-Spanish]|4-Demethylepipodophyllotoxin beta-D-ethylideneglucoside|NK 171|CCRIS 2392|NSC-141... | 588.600 | C29H32O13 | 161.000 | 969.000 | 0.600 | 42 | 3 | 13 | 5 | InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1 | C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O | CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O | VJJPUSNTGOMMGY-MRVIYFEKSA-N | (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one | 588.184 | 588.184 | 0 | 1 | 0 | 10 | 10 | 0 | 0 | 0 | 0 | 50095 | 164082 | 43709 | 2D+3D | Etoposide | 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... | 18 | 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|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|2322|... | 20040916 | 3B Scientific (Wuhan) Corp|3WAY PHARM INC|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AKos Consulting & Solutions|Alfa Chemistry|Ambeed|Aurora Fine Chemicals... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CB - Podophyllotoxin derivatives|C1907 - Drug, Natural Product|D004791 - Enzyme Inhibitors|C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inh... |
145742 | Proline | L-proline|147-85-3|proline|L-(-)-Proline|(2S)-pyrrolidine-2-carboxylic acid|(S)-Pyrrolidine-2-carboxylic acid|H-Pro-OH|2-pyrrolidinecarboxylic acid|(-)-Proline|(-)-(S)-Proline|Prolinum|(S)-2-Pyrrolidinecarboxylic acid|(-)-2-Pyrrolidinecarboxylic acid|prolina|(S)-Proline|L-Pyrrolidine-2-carboxylic acid|L-alpha-Pyrrolidi... | 115.130 | C5H9NO2 | 49.300 | 103.000 | -2.500 | 8 | 2 | 3 | 1 | InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 | C1C[C@H](NC1)C(=O)O | C1CC(NC1)C(=O)O | ONIBWKKTOPOVIA-BYPYZUCNSA-N | (2S)-pyrrolidine-2-carboxylic acid | 115.063 | 115.063 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 30756 | 79330 | 36114 | 2D+3D | Proline | 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... | 18 | 348|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|880|881|883|884|885|886|887|889|891|892|893|894|899|900|902|912|914|915|923|924|925|926|938|995|1030|1379|1452|1457|1458|1469|1471|1476|1478|1479|1487|1490|1688|1766|1768|1851|1948|2326|2528|2546|... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|A2B Chem|A2Z Chemical|AA BLOCKS|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|A... | 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 |
68289 | 3,4-Methylenedioxyphenol | Sesamol|533-31-3|1,3-Benzodioxol-5-ol|3,4-Methylenedioxyphenol|3,4-(Methylenedioxy)phenol|5-Hydroxy-1,3-benzodioxole|3,4-Methylendioxyphenol|Methylene ether of oxyhydroquinone|Phenol, 3,4-(methylenedioxy)-|5-Benzodioxolol|benzo[d][1,3]dioxol-5-ol|2H-1,3-Benzodioxol-5-Ol|MFCD00005827|CCRIS 1386|benzodioxol-5-ol|EINECS 2... | 138.120 | C7H6O3 | 38.700 | 126.000 | 1.200 | 10 | 1 | 3 | 0 | InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2 | C1OC2=C(O1)C=C(C=C2)O | C1OC2=C(O1)C=C(C=C2)O | LUSZGTFNYDARNI-UHFFFAOYSA-N | 1,3-benzodioxol-5-ol | 138.032 | 138.032 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1322 | 22957 | 8838 | 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... | 18 | 421|426|427|433|434|435|445|530|540|541|542|543|544|545|546|584|585|595|596|603|605|608|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|974|975|976|977|978|979|... | 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|Acadechem|Accela ChemBio Inc.|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|Activate Scientific|AEchem Scien... | 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 |
60606 | Clopidogrel | clopidogrel|113665-84-2|Zyllt|(S)-Clopidogrel|Thrombo|Plavix|(+)-Clopidogrel|(+)-(S)-Clopidogrel|Clopidogrel bisulfate|Clopidogrel Acino|Clopidogrel Hexal|CLOPIDOGREL SULFATE|Clopidogrel Winthrop|Clopidogrel 1A Pharma|HSDB 7430|SR 25990|UNII-A74586SNO7|R 130964|CHEBI:37941|A74586SNO7|Clopidogrel Teva (hydrogen sulphate... | 321.800 | C16H16ClNO2S | 57.800 | 381.000 | 3.800 | 21 | 0 | 4 | 4 | InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1 | COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3 | COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3 | GKTWGGQPFAXNFI-HNNXBMFYSA-N | methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate | 321.059 | 321.059 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 31363 | 49201 | 11304 | 2D+3D | Clopidogrel | 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... | 18 | 1195|1490|1511|1527|1529|1530|1531|1554|1556|1565|1566|1578|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|1614|1616|1621|1631|1634|1654|1656|1662|1663|1672|1700|1706|1721|1722|1766|1768|1777|1778|1779|1789|1800|... | 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|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemtek|Acmec Biochemical|Acorn PharmaTech ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin|D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors|D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagoni... |
5865 | Prednisone | prednisone|53-03-2|Dehydrocortisone|Decortin|Deltasone|Supercortil|Meticorten|Orasone|Metacortandracin|Dacortin|Encorton|Paracort|1,2-Dehydrocortisone|Ancortone|Decortancyl|Decortisyl|Deltacortisone|Deltacortone|Prednilonga|Prednison|Rectodelt|Servisone|Sterapred|Ultracorten|Colisone|Deltison|Lodotra|Cortan|Liquid Pred... | 358.400 | C21H26O5 | 91.700 | 764.000 | 1.500 | 26 | 2 | 5 | 2 | InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 | C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C | CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C | XOFYZVNMUHMLCC-ZPOLXVRWSA-N | (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione | 358.178 | 358.178 | 0 | 1 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 106320 | 137981 | 38105 | 2D+3D | Prednisone | 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... | 18 | 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|87|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|186|188|190|192|194|198|206|210|212|216|220|224|228|232|236|244|246|248|250|252|256|258|264|270|272|276|282|284|288|290|292|29... | 20050326 | 001Chemical|10X CHEM|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|Acorn PharmaTech Product List|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Sol... | 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|D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids|D000970 - Ant... |
60823 | Atorvastatin | atorvastatin|134523-00-5|Tozalip|Xavator|Cardyl|Lipitor|ATORVASTATIN CALCIUM|Torvast|atorvastatina|atorvastatine|Atofast|Atorcor|Atorlip|Lipilou|Lipinon|Atorin|Ator|110862-48-1|atorvastatinum|CCRIS 7159|(3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid|HS... | 558.600 | C33H35FN2O5 | 112.000 | 822.000 | 5.000 | 41 | 4 | 6 | 12 | InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1 | CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 | CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 | XUKUURHRXDUEBC-KAYWLYCHSA-N | (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid | 558.253 | 558.253 | 0 | 1 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 22413 | 91126 | 19876 | 2D+3D | Atorvastatin | 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... | 18 | 880|881|894|1030|1379|1452|1457|1460|1463|1467|1468|1469|1471|1476|1477|1478|1479|1490|1766|1768|1865|1948|2101|2107|2112|2314|2315|2451|2472|2517|2528|2546|2549|2551|241793|311524|312172|313843|313844|313910|313911|313912|313913|313914|384740|384741|384742|384743|384744|384745|384747|384748|384751|384752|384760|385183... | 20050624 | 001Chemical|10X CHEM|3WAY PHARM INC|4C Pharma Scientific Inc|A1 BioChem Labs|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|ACT Chemical|Activate Scienti... | 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 ... |
3676 | Lidocaine | lidocaine|137-58-6|Lignocaine|Xylocaine|2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide|Lidoderm|Duncaine|Esracaine|Xylestesin|Alphacaine|Cappicaine|Gravocain|Leostesin|Maricaine|Solarcaine|Isicaina|Solcain|Xylocain|L-Caine|Isicaine|Xylocitin|Rucaina|Xilina|Xycaine|Cito optadren|Anestacon|Lida-Mantle|Dentipatch|Xyloto... | 234.340 | C14H22N2O | 32.299 | 228.000 | 2.300 | 17 | 1 | 2 | 5 | InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) | CCN(CC)CC(=O)NC1=C(C=CC=C1C)C | CCN(CC)CC(=O)NC1=C(C=CC=C1C)C | NNJVILVZKWQKPM-UHFFFAOYSA-N | 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide | 234.173 | 234.173 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 70991 | 105511 | 31187 | 2D+3D | Lidocaine | 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... | 18 | 256|357|361|364|368|371|373|374|375|410|411|422|423|424|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|... | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Achemica|Achemtek|Acmec B... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | S - Sensory organs > S02 - Otologicals > S02D - Other otologicals > S02DA - Analgesics and anesthetics|D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AB - Anesthetics for topical use|C - Cardiovascular system > C05 ... |
2719 | Chloroquine | chloroquine|54-05-7|Aralen|Chlorochin|Chloraquine|Artrichin|Chloroquina|Chloroquinium|Capquin|Reumachlor|Chemochin|Chlorquin|Clorochina|Malaquin|Bemaco|Arthrochin|Bemasulph|Chingamin|Cidanchin|Cocartrit|Dichinalex|Gontochin|Pfizerquine|Quinachlor|Quinercyl|Quinoscan|Tresochin|Benaquin|Bipiquin|Elestol|Heliopar|Iroquine... | 319.900 | C18H26ClN3 | 28.200 | 309.000 | 4.600 | 22 | 1 | 3 | 8 | InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) | CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl | CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl | WHTVZRBIWZFKQO-UHFFFAOYSA-N | 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine | 319.182 | 319.182 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 32750 | 64795 | 16197 | 2D+3D | Chloroquine | 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... | 18 | 179|248|256|1332|2660|2666|2667|2668|8665|17461|18982|18984|25339|26756|27167|27572|27587|28680|28681|28683|29338|29359|29811|40459|47338|47339|47340|47341|47342|47343|51933|59922|59925|60963|60965|68949|70548|71872|71879|72010|72011|72013|72016|72859|72861|72977|84652|85548|85552|88262|88264|88423|88424|91120|93345|93... | 20050325 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific 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|Accela ChemBio Inc.|Achemo Sc... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D018501 - Antirheumatic Agents|D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents|C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent|P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P... |
460612 | Melphalan | melphalan|148-82-3|Alkeran|Melfalan|L-PAM|Phenylalanine mustard|L-Sarcolysine|L-Phenylalanine mustard|L-Sarcolysin|p-L-Sarcolysin|Levofalan|Levofolan|Levopholan|Melfalano|Melphalanum|L-Sarkolysin|4-[Bis(2-chloroethyl)amino]-L-phenylalanine|Phenylalanine nitrogen mustard|p-Di-(2-chloroethyl)amino-L-phenylalanine|NCI-C04... | 305.200 | C13H18Cl2N2O2 | 66.600 | 265.000 | -0.500 | 19 | 2 | 4 | 8 | InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1 | C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl | C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl | SGDBTWWWUNNDEQ-LBPRGKRZSA-N | (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid | 304.075 | 304.075 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 8313 | 128050 | 33831 | 2D+3D | Melphalan | 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... | 18 | 1|3|7|9|13|19|21|23|25|29|31|33|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|123|125|129|131|133|137|139|141|143|145|377|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|6... | 20050801 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|A2B Chem|AA BLOCKS|AbaChemScene|ABBLIS Chemicals|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbovChem LLC|Acadechem|Achemtek|Adooq BioScience|AHH Chemical co.,ltd|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Aladdin|Alfa Chemistry|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents|D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists|D009676 - Noxae > D000477 - Alkylating Agents|D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds|C274 - Antineoplastic A... |
441074 | Quinidine | quinidine|56-54-2|(+)-Quinidine|Conquinine|Pitayine|Chinidin|Conchinin|(8R,9S)-Quinidine|(9S)-6'-Methoxycinchonan-9-ol|beta-Quinine|Quinidex|Kinidin|Conchinine|Cin-Quin|beta-Quinidine|chinidinum|quinidina|Quinicardine|Quinora|(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol|Cinch... | 324.400 | C20H24N2O2 | 45.600 | 457.000 | 2.900 | 24 | 1 | 4 | 4 | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 | COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O | LOUPRKONTZGTKE-LHHVKLHASA-N | (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol | 324.184 | 324.184 | 0 | 1 | 0 | 4 | 4 | 0 | 0 | 0 | 0 | 17663 | 49156 | 12308 | 2D+3D | Quinidine | 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... | 18 | 421|426|427|433|434|435|445|530|540|541|542|543|544|545|546|584|585|595|596|603|605|608|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|974|975|976|977|978|979|... | 20050624 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|3WAY PHARM INC|A&J Pharmtech CO., LTD.|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|Acadechem|Achemtek|Acorn PharmaTech Product List|ACT Chemical|Activate Scien... | 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|D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists|C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia|D0047... |
2726 | Chlorpromazine | chlorpromazine|Thorazine|50-53-3|Largactil|Chloropromazine|Aminazine|Contomin|Chlorderazin|Propaphenin|Chlorpromados|Fenactil|Sanopron|Wintermin|Esmind|Largactilothiazine|Megaphen|Novomazina|Chlorpromazinum|Chlorpromazin|Largactyl|Phenactyl|Promactil|Aminazin|Elmarin|Fenaktyl|Promazil|Torazina|2-Chloropromazine|Proma|P... | 318.900 | C17H19ClN2S | 31.800 | 339.000 | 5.200 | 21 | 0 | 3 | 4 | InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl | CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl | ZPEIMTDSQAKGNT-UHFFFAOYSA-N | 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine | 318.096 | 318.096 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 35001 | 58196 | 14498 | 2D+3D | Chlorpromazine | 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... | 18 | 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|192|248|330|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|8... | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Ace Therapeutics|Achemo Scientific ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine|D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists|C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent|D002492 - Central Nervous System Depressants > D014149 - Tranquil... |
5819 | Levothyroxine | L-thyroxine|levothyroxine|51-48-9|thyroxine|thyroxin|Levothyroxin|Tetraiodothyronine|3,3',5,5'-Tetraiodo-L-thyronine|Thyratabs|Thyreoideum|Thyroxinal|Thyrax|synthroid|Thyroxine iodine|L-Thyroxin|L-T4|3,5,3',5'-Tetraiodo-L-thyronine|Thyroxine (l)|(-)-Thyroxine|Levothyroxine sodium|O-(4-hydroxy-3,5-diiodophenyl)-3,5-diio... | 776.870 | C15H11I4NO4 | 92.800 | 420.000 | 2.400 | 24 | 3 | 5 | 5 | InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 | C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N | C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N | XUIIKFGFIJCVMT-LBPRGKRZSA-N | (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid | 776.687 | 776.687 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 70168 | 57867 | 17412 | 2D+3D | Thyroxine | 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... | 18 | 377|527|568|583|598|602|606|608|618|620|629|630|633|639|648|687|701|719|750|834|880|940|1033|1195|1332|1376|1385|1422|1465|1469|1471|1479|1487|1490|1511|1529|1530|1531|1532|1549|1552|1554|1621|1626|1637|1648|1662|1663|1672|1688|1766|1768|1811|1813|1814|1832|1850|1863|1875|1885|1899|1903|1906|1910|1947|1950|1956|1962|19... | 20040916 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|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|Acadechem|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Ac... | 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|H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03A - Thyroid preparations > H03AA - Thyroid hormones|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1553 - Thyroid Agent|... |
4091 | Metformin | metformin|657-24-9|1,1-Dimethylbiguanide|N,N-dimethylimidodicarbonimidic diamide|Fluamine|Metiguanide|Dimethylbiguanide|Flumamine|Gliguanid|Haurymelin|Metformine|Melbin|Imidodicarbonimidic diamide, N,N-dimethyl-|N,N-Dimethylbiguanide|Islotin|Dimethyldiguanide|N1,N1-Dimethylbiguanide|DMGG|NNDG|N,N-Dimethyldiguanide|Diab... | 129.160 | C4H11N5 | 91.500 | 132.000 | -1.300 | 9 | 3 | 1 | 2 | InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) | CN(C)C(=N)N=C(N)N | CN(C)C(=N)N=C(N)N | XZWYZXLIPXDOLR-UHFFFAOYSA-N | 3-(diaminomethylidene)-1,1-dimethylguanidine | 129.101 | 129.101 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 48935 | 92609 | 24209 | 2D+3D | Metformin | 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... | 18 | 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|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|1030|1195|1332|1379|1452|1454|1457|1458|1467|1469|1471|1476|1477|1478|1479|1487|1490|1519|1688|1... | 20050325 | 001Chemical|10X CHEM|3B Scientific (Wuhan) Corp|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|Acadechem|Accela ChemBio Inc.|Achemica|Achemtek|Acmec Biochemical|Aco... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | C1892 - Chemopreventive Agent|A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BA - Biguanides|C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98234 - Biguanide Antidiabetic Agent|D007004 - Hypoglycemi... |
3100 | Diphenhydramine | diphenhydramine|58-73-1|Benadryl|Benzhydramine|2-(Benzhydryloxy)-N,N-dimethylethanamine|Alledryl|Probedryl|Dihidral|Antistominum|Benzhydraminum|Benzhydroamina|Diphantine|Difenhydramin|Allergical|Baramine|Benachlor|Benadrin|Benodine|Benzantine|Benzhydril|Betramin|Debendrin|Dermistina|Dermodrin|Desentol|Diabenyl|Diabylen... | 255.350 | C17H21NO | 12.500 | 211.000 | 3.300 | 19 | 0 | 2 | 6 | InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 | CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 | CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 | ZZVUWRFHKOJYTH-UHFFFAOYSA-N | 2-benzhydryloxy-N,N-dimethylethanamine | 255.162 | 255.162 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 14411 | 93973 | 30218 | 2D+3D | Diphenhydramine | 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... | 18 | 1|3|5|7|9|15|19|25|29|31|33|35|37|39|41|43|45|47|49|53|55|59|65|67|71|73|79|81|83|85|87|89|91|93|95|97|99|101|103|107|109|129|131|137|139|141|143|145|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|89... | 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|Accela ChemBio Inc.|Achemica|Achemt... | 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|D018926 - Anti-Allergic Agents|D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics|C308 - Immunotherapeutic Agent > C29578 - Histamine-1 R... |
35370 | Zidovudine | zidovudine|Azidothymidine|30516-87-1|3'-Azido-3'-deoxythymidine|Retrovir|AZT|Thymidine, 3'-azido-3'-deoxy-|Zidovudinum|Compound S|Zidovudina|ZIDOVUDINE [AZT]|zidovudin|Trizivir|BW A509U|Zidovudinum [Latin]|3'-Deoxy-3'-azidothymidine|BWA509U|BW-A509U|ZDV|BW-A-509U|DRG-0004|Azidothymidine (AZT)|Aztec|CCRIS 105|3'-azt|HSD... | 267.240 | C10H13N5O4 | 93.200 | 484.000 | 0.000 | 19 | 2 | 6 | 3 | InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] | HBOMLICNUCNMMY-XLPZGREQSA-N | 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione | 267.097 | 267.097 | 0 | 1 | 0 | 3 | 3 | 0 | 0 | 0 | 0 | 20674 | 66977 | 16020 | 2D+3D | Zidovudine | 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... | 18 | 357|361|364|368|371|373|374|375|411|421|422|425|426|427|429|430|431|432|433|434|435|436|438|440|441|444|445|446|449|450|453|454|455|456|457|460|461|483|485|487|488|501|518|521|522|524|525|527|528|529|530|538|539|540|541|542|543|544|545|546|552|555|556|559|560|561|565|567|568|570|571|572|573|574|575|576|577|580|581|583|... | 20050624 | 10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|AAA Chemistry|abcr GmbH|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|Acadechem|Achemo Scientific Limited|Achemtek|Acorn PharmaTech Product List|AEchem Scientific Corp., USA|AHH Chemical co.,ltd|AK Scientific, Inc. (AK... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides|C254 - Anti-Infective Agent > C281 - Antiviral Agent|D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors|J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direc... |
135 | 4-Hydroxybenzoic acid | 4-HYDROXYBENZOIC ACID|99-96-7|p-Hydroxybenzoic acid|4-Carboxyphenol|p-Salicylic acid|Benzoic acid, 4-hydroxy-|Benzoic acid, p-hydroxy-|p-carboxyphenol|para-Hydroxybenzoic acid|Paraben-acid|4-Hydroxybenzoesaeure|p-Oxybenzoesaure|Kyselina 4-hydroxybenzoova|p-Oxybenzoesaure [German]|4-Hydroxybenzoicacid|NSC 4961|parahydro... | 138.120 | C7H6O3 | 57.500 | 125.000 | 1.600 | 10 | 2 | 3 | 1 | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) | C1=CC(=CC=C1C(=O)O)O | C1=CC(=CC=C1C(=O)O)O | FJKROLUGYXJWQN-UHFFFAOYSA-N | 4-hydroxybenzoic acid | 138.032 | 138.032 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7518 | 206797 | 69482 | 2D+3D | null | Agrochemical Information|Biological Test Results|Interactions and Pathways|Chemical and Physical Properties|Classification|Food Additives and Ingredients|Identification|Literature|Patents|Pharmacology and Biochemistry|Safety and Hazards|Toxicity|Use and Manufacturing|Associated Disorders and Diseases|Spectral Informati... | 18 | 155|157|161|165|167|175|1469|1477|1479|1490|1766|1768|2101|2107|2112|2314|2315|2451|2472|2517|2528|2546|2549|2551|23251|23252|23253|23254|23255|23256|24263|24265|25612|25613|26261|26793|28497|28691|28731|29132|40626|40936|55746|69558|69709|125426|147482|213093|226477|226478|237685|260086|260087|274670|278000|290547|290... | 20040916 | 001Chemical|10X CHEM|1st Scientific|3B Scientific (Wuhan) Corp|3WAY PHARM INC|4C Pharma Scientific Inc|A&J Pharmtech CO., LTD.|A2B Chem|AA BLOCKS|AAA Chemistry|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|abcr GmbH|ABI Chem|AbovChem LLC|Acadechem|Accela ChemBio Inc.|Aceschem Inc|Achemica|Achemo Scientific Limited|... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens|COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from PDB, Protein Data Bank |
149096 | Levofloxacin | LEVOFLOXACIN|100986-85-4|Levaquin|Quixin|(-)-Ofloxacin|Iquix|(S)-Ofloxacin|Ofloxacin S-(-)-form|Levofloxacine|Cravit|Tavanic|Levofloxacino|Levofloxacinum|Elequine|Oftaquix|L-Ofloxacin|Floxacin|Levofloxacin Anhydrous|(S)-(-)-Ofloxacin|Unibiotic|Venaxan|Loxof|DR-3355|HR 355|Nofaxin|Volequin|RWJ 25213-097|MP-376|CCRIS 407... | 361.400 | C18H20FN3O4 | 73.300 | 634.000 | -0.400 | 26 | 1 | 8 | 2 | InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1 | C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O | CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O | GSDSWSVVBLHKDQ-JTQLQIEISA-N | (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid | 361.144 | 361.144 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 19371 | 42922 | 10841 | 2D+3D | Levofloxacin | 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... | 18 | 485|631|731|781|782|880|940|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|... | 20050709 | 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|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Achemo Scientific Limited|Achemtek|Acmec Bio... | 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 > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones|D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors|D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Ag... |
6741 | Methylprednisolone | methylprednisolone|83-43-2|Medrol|Metilprednisolone|Medrone|6alpha-Methylprednisolone|Metilbetasone|Medrate|Urbason|Dopomedrol|Medesone|Mesopren|Metastab|Metrisone|Noretona|Promacortine|Urbasone|Besonia|Moderin|Solomet|Wyacort|Methylprednisolon|Sieropresol|Suprametil|Esametone|Firmacort|Medixon|Metrocort|Metysolon|Niry... | 374.500 | C22H30O5 | 94.800 | 754.000 | 1.900 | 27 | 3 | 5 | 2 | InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1 | C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O | CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O | VHRSUDSXCMQTMA-PJHHCJLFSA-N | (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one | 374.209 | 374.209 | 0 | 1 | 0 | 8 | 8 | 0 | 0 | 0 | 0 | 64162 | 116937 | 24580 | 2D+3D | Methylprednisolone | 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... | 18 | 1|3|7|9|11|13|15|19|23|25|27|29|31|33|35|37|39|45|47|49|51|53|55|59|61|63|65|67|69|71|73|75|77|79|81|99|101|103|105|107|109|113|115|119|121|123|125|129|131|137|139|141|143|145|180|192|200|206|208|212|220|248|264|268|296|298|328|330|342|357|361|364|368|371|373|374|375|377|411|422|425|429|430|431|432|436|438|440|441|444|... | 20050326 | 10X CHEM|3B Scientific (Wuhan) Corp|A2B Chem|AA BLOCKS|Aaron Chemicals LLC|AbaChemScene|ABBLIS Chemicals|Abe Lab, University of Texas MD Anderson Cancer Center|ABI Chem|AbMole Bioscience|AbovChem LLC|Acadechem|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|Activate Scientific|AEchem Scientific Corp., USA|AHH ... | Chemical Vendors|Curation Efforts|Governmental Organizations|Journal Publishers|Legacy Depositors|NIH Initiatives|Research and Development|Subscription Services | D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AA - Corticosteroids, weak (group i)|C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone|C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therape... |
12035 | Acetylcysteine | N-Acetyl-L-cysteine|acetylcysteine|616-91-1|N-Acetylcysteine|mercapturic acid|Acetadote|L-Acetylcysteine|Broncholysin|Mucomyst|Fluimucetin|N-Acetyl-cysteine|Fluimucil|Parvolex|Respaire|Acetein|Flumucetin|Fluprowit|Airbron|Brunac|Fabrol|Mucosil|L-Cysteine, N-acetyl-|Fluimicil Infantil|N-Acetyl cysteine|Acetilcisteina|Ac... | 163.200 | C5H9NO3S | 67.400 | 148.000 | 0.400 | 10 | 3 | 4 | 3 | InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 | CC(=O)N[C@@H](CS)C(=O)O | CC(=O)NC(CS)C(=O)O | PWKSKIMOESPYIA-BYPYZUCNSA-N | (2R)-2-acetamido-3-sulfanylpropanoic acid | 163.03 | 163.03 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 21884 | 88321 | 24051 | 2D+3D | Acetylcysteine | 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... | 18 | 357|361|364|368|371|373|374|375|411|422|425|429|430|431|432|436|438|440|441|444|446|449|450|453|454|455|456|457|460|461|483|485|487|488|501|518|521|522|524|525|527|528|529|538|539|547|552|555|556|559|560|561|565|567|568|570|571|572|573|574|575|576|577|580|581|583|587|588|589|590|591|592|593|594|597|598|601|602|604|606|... | 20040916 | 10X CHEM|3B Scientific (Wuhan) Corp|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|Ace Therapeutics|Achemo Scientific Limited|Achemtek|Acmec Bioc... | 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 > D000975 - Antioxidants|V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes|C78273 - Agent Affecting Respiratory System > C74536 - Mucolytic Agent|D000890 - Anti-Infective A... |
8117 | Diethylene glycol | DIETHYLENE GLYCOL|111-46-6|2,2'-Oxydiethanol|Diglycol|2,2'-Oxybisethanol|2-(2-Hydroxyethoxy)ethanol|Diethylenglykol|Digol|2-Hydroxyethyl ether|Bis(2-hydroxyethyl) ether|DI(HYDROXYETHYL)ETHER|Ethanol, 2,2'-oxybis-|Digenos|Dicol|Brecolane ndg|Glycol ether|Deactivator E|Dissolvant APV|Ethylene diglycol|2,2'-Oxyethanol|1,5... | 106.120 | C4H10O3 | 49.700 | 26.100 | -1.300 | 7 | 2 | 3 | 4 | InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2 | C(COCCO)O | C(COCCO)O | MTHSVFCYNBDYFN-UHFFFAOYSA-N | 2-(2-hydroxyethoxy)ethanol | 106.063 | 106.063 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5263 | 91637 | 46275 | 2D+3D | null | 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... | 18 | 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|974|975|976|977|978|979|980|... | 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|Acadechem|Aceschem Inc|Achemica|Achemtek|Acmec Biochemical|Activate Scientific|AK Scientific, Inc. (AKSCI)|AKos Consulting & Solutions|Alfa Chemistr... | 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 |
10364 | Carvacrol | CARVACROL|5-Isopropyl-2-methylphenol|499-75-2|Isopropyl-o-cresol|Antioxine|2-p-Cymenol|5-Isopropyl-o-cresol|o-Thymol|Isothymol|Karvakrol|2-Hydroxy-p-cymene|p-Cymen-2-ol|Phenol, 2-methyl-5-(1-methylethyl)-|2-Methyl-5-isopropylphenol|3-Isopropyl-6-methylphenol|p-Cymene, 2-hydroxy-|5-Isopropyl-2-methyl-phenol|o-Cresol, 5-... | 150.220 | C10H14O | 20.200 | 120.000 | 3.100 | 11 | 1 | 1 | 1 | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3 | CC1=C(C=C(C=C1)C(C)C)O | CC1=C(C=C(C=C1)C(C)C)O | RECUKUPTGUEGMW-UHFFFAOYSA-N | 2-methyl-5-propan-2-ylphenol | 150.104 | 150.104 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5605 | 26216 | 8686 | 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... | 18 | 155|157|161|165|167|175|114276|116736|214939|403341|482143|624606|624608|624609|624611|624612|624613|624614|624616|651631|651632|651633|651634|677530|677534|677535|677536|677537|677538|677539|677610|677611|677612|677613|677614|677615|677616|677617|716615|716616|716617|716618|716619|716620|716621|716812|716813|716814|71... | 20050326 | 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|Acadechem|Aceschem Inc|Achemica|Achemo Scientific Limited|Achemtek|Acmec Biochemical|Acorn PharmaTech Product List|AEchem Scientific Corp... | 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 |
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