CAS Registry Number®
125995-03-1
CAS Name
Atorvastatin lactone
Molecular Formula
C33H33FN2O4
Molecular Mass
540.62
Compound Properties
-
Melting Point (1)
160-162 °C
Source(s)
- (1) Stach, Jan; Collection of Czechoslovak Chemical Communications, (2008), 73(2), 229-246, CAplus
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
- 5-(4-Fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxotetrahydropyran-2-yl]ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide
Deleted or Replaced CAS Registry Numbers
142062-65-5
