Atorvastatin lactone

CAS Registry Number®

125995-03-1

CAS Name

Atorvastatin lactone

Molecular Formula

C33H33FN2O4

Molecular Mass

540.62

Cite this Page

Atorvastatin lactone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125995-03-1 (retrieved 2024-11-21) (CAS RN: 125995-03-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160-162 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)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)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1

InChIKey

InChIKey=OUCSEDFVYPBLLF-KAYWLYCHSA-N

SMILES

C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@@H]3C[C@@H](O)CC(=O)O3)C2C(C)C)C4=CC=C(F)C=C4)C5=CC=CC=C5

Canonical SMILES

O=C1OC(CCN2C(C=3C=CC(F)=CC3)=C(C=4C=CC=CC4)C(C(=O)NC=5C=CC=CC5)=C2C(C)C)CC(O)C1

Other Names for this Substance

  • 1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-
  • 1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-, (2R-trans)-
  • 5-(4-Fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1H-pyrrole-3-carboxamide
  • Atorvastatin lactone
  • Atorvastatin δ-lactone

View All

Deleted or Replaced CAS Registry Numbers

142062-65-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration