Preferred Name | atorvastatin | |
Synonyms |
(R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID atorvastatinum atorvastatin atorvastatine atorvastatina Atorlip Atorvastatin (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid |
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Definitions |
A dihydroxy monocarboxylic acid that is a member of the drug class known as statins, used primarily for lowering blood cholesterol and for preventing cardiovascular diseases. |
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ID |
http://purl.obolibrary.org/obo/CHEBI_39548 |
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charge |
0 |
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database_cross_reference |
NCIt:C61527 MeSH:C065179 HMDB:HMDB0005006 Patent:US5273995 KEGG:D07474 KEGG:C06834 PMID:18720283 DrugBank:DB01076 Drug_Central:257 SNOMEDCT:373444002 PDBeChem:117 CAS:134523-00-5 Reaxys:8373630 Beilstein:8373630 Wikipedia:Atorvastatin PMID:11693468 PMID:15012735 LINCS:LSM-5771 Patent:EP409281 SNOMEDCT:108600003 |
|
definition |
A dihydroxy monocarboxylic acid that is a member of the drug class known as statins, used primarily for lowering blood cholesterol and for preventing cardiovascular diseases. |
|
formula |
C33H35FN2O5 |
|
has characteristic | ||
has_alternative_id |
CHEBI:39538 CHEBI:2910 |
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has_exact_synonym |
Atorvastatin (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid |
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has_obo_namespace |
chebi_ontology |
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has_related_synonym |
(R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID atorvastatinum atorvastatin atorvastatine atorvastatina Atorlip |
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has_role | ||
id |
CHEBI:39548 |
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in_subset | ||
inchi |
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 |
|
inchikey |
XUKUURHRXDUEBC-KAYWLYCHSA-N |
|
label |
atorvastatin |
|
mass |
558.63988 |
|
monoisotopicmass |
558.25300 |
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notation |
CHEBI:39548 |
|
preferred label |
atorvastatin |
|
prefLabel |
atorvastatin |
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smiles |
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O |
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subClassOf |