loading...| Preferred Name |
atorvastatin calcium |
|
| Synonyms |
calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate} Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2) Atorvastan Lipitor Liprimar |
|
| Definitions |
An organic calcium salt composed of calcium cations and atorvastatin anions in a 1:2 ratio. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50686 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D00887 CAS:134523-03-8 Reaxys:5373842 DrugBank:DB01076 |
|
| definition |
An organic calcium salt composed of calcium cations and atorvastatin anions in a 1:2 ratio. |
|
| formula |
(C33H34FN2O5)2.Ca C66H68CaF2N4O10 |
|
| has part | ||
| has_exact_synonym |
calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate} |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2) Atorvastan Lipitor Liprimar |
|
| id |
CHEBI:50686 |
|
| in_subset | ||
| inchi |
InChI=1S/2C33H35FN2O5.Ca/c2*1-21(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;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1 |
|
| inchikey |
FQCKMBLVYCEXJB-MNSAWQCASA-L |
|
| label |
atorvastatin calcium |
|
| mass |
1155.34189 |
|
| monoisotopicmass |
1154.45294 |
|
| notation |
CHEBI:50686 |
|
| prefLabel |
atorvastatin calcium |
|
| smiles |
[Ca++].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O.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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| treeView | ||
| subClassOf |