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Substance Name: ent-Atorvastatin
RN: 501121-34-2
UNII: U2H272PQ8B
InChIKey: XUKUURHRXDUEBC-SVBPBHIXSA-N

Molecular Weight

  • 558.6465
 
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Names and Synonyms

Name of Substance

  • ent-Atorvastatin

Synonyms

  • (3S,5S)-7-(2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid
  • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (betaS,deltaS)-
  • 3S,5S-Atorvastatin
  • Atorvastatin calcium trihydrate impurity E [EP]
  • ent-Atorvastatin
  • UNII-U2H272PQ8B

Registry Numbers

CAS Registry Number

  • 501121-34-2

FDA UNII

  • U2H272PQ8B

System Generated Number

  • 0501121342

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

CC(C)c1c(c(c(n1CC[C@@H](C[C@@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4