loading...| Preferred Name |
|
|
| Synonyms |
(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid Atorvastatin atorvastatinum atorvastatin atorvastatina (R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid atorvastatine 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID Atorlip |
|
| 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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_39548 |
|
| charge |
0 |
|
| database_cross_reference |
NCIt:C61527 MeSH:C065179 SNOMEDCT:373444002 SNOMEDCT:108600003 Reaxys:8373630 HMDB:HMDB0005006 Patent:US5273995 Beilstein:8373630 LINCS:LSM-5771 PDBeChem:117 PMID:15012735 PMID:18720283 Drug_Central:257 Wikipedia:Atorvastatin KEGG:D07474 Patent:EP409281 KEGG:C06834 DrugBank:DB01076 CAS:134523-00-5 PMID:11693468 |
|
| 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_alternative_id |
CHEBI:39538 CHEBI:2910 |
|
| has_exact_synonym |
(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid Atorvastatin |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
atorvastatinum atorvastatin atorvastatina (R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid atorvastatine 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID Atorlip |
|
| has_role | ||
| id |
CHEBI:39548 |
|
| 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 |
|
| notation |
CHEBI:39548 |
|
| smiles |
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O |
|
| subClassOf |