atorvastatin (lipitor) Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

558.65

ALogP

6.31

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
  • InChIKey: XUKUURHRXDUEBC-KAYWLYCHSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1487   ChEMBL
atorvastatin *

CHEMBL1790017   ChEMBL
atorvastatin acid

CHEMBL393220   ChEMBL
atorvastatin calcium

A0JWA85V8F   NCATS
atorvastatin *

Atorvastatin   Wikipedia

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