Atorvastatin tert-butyl ester

CAS Registry Number®

134395-00-9

CAS Name

Atorvastatin tert-butyl ester

Molecular Formula

C37H43FN2O5

Molecular Mass

614.75

Cite this Page

Atorvastatin tert-butyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=134395-00-9 (retrieved 2024-11-24) (CAS RN: 134395-00-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H43FN2O5/c1-24(2)34-33(36(44)39-28-14-10-7-11-15-28)32(25-12-8-6-9-13-25)35(26-16-18-27(38)19-17-26)40(34)21-20-29(41)22-30(42)23-31(43)45-37(3,4)5/h6-19,24,29-30,41-42H,20-23H2,1-5H3,(H,39,44)/t29-,30-/m1/s1

InChIKey

InChIKey=GCPKKGVOCBYRML-LOYHVIPDSA-N

SMILES

C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C[C@H](CC(OC(C)(C)C)=O)O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4

Canonical SMILES

O=C(OC(C)(C)C)CC(O)CC(O)CCN1C(C=2C=CC(F)=CC2)=C(C=3C=CC=CC3)C(C(=O)NC=4C=CC=CC4)=C1C(C)C

Other Names for this Substance

  • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, 1,1-dimethylethyl ester, (βR,δR)-
  • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, 1,1-dimethylethyl ester, [R-(R*,R*)]-
  • (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid tert-butyl ester
  • Atorvastatin tert-butyl ester