Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Atorvastatin, (+/-)-
RN: 110862-48-1
UNII: 36TN91XZ0V
InChIKey: XUKUURHRXDUEBC-SVBPBHIXSA-N

Note

  • Hydroxymethylglutaryl-CoA reductase inhibitor.

Molecular Formula

  • C33-H35-F-N2-O5

Molecular Weight

  • 558.646
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Atorvastatin, (+/-)-

Synonyms

  • (1betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoic acid
  • UNII-36TN91XZ0V

Systematic Names

  • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (betaR,deltaR)-rel-
  • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (R*,R*)-

Registry Numbers

CAS Registry Number

  • 110862-48-1

FDA UNII

  • 36TN91XZ0V

Related Registry Number

  • 134523-03-8 (calcium salt)

System Generated Number

  • 0110862481

Structure Descriptors

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-/m0/s1

InChIKey

XUKUURHRXDUEBC-SVBPBHIXSA-N

Smiles

c1(c(n(CC[C@@H](C[C@@H](CC(=O)O)O)O)c(c1C(Nc1ccccc1)=O)C(C)C)c1ccc(F)cc1)c1ccccc1