Analyte Name

Atorvastatin Lactam Sodium Salt Impurity

CAS Number

148217-40-7

Molecular Formula

C33 H34 F N2 O6 . Na

Molecular Weight

596.62

Accurate Mass

596.2299

SMILES

[Na+].CC(C)[C@@]1(C(=O)Nc2ccccc2)C(=O)N(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])C(=C1c3ccccc3)c4ccc(F)cc4

InChI

InChI=1S/C33H35FN2O6.Na/c1-21(2)33(31(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)30(23-13-15-24(34)16-14-23)36(32(33)42)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);/q;+1/p-1/t26-,27-,33-;/m1./s1

IUPAC

sodium;(3R,5R)-7-[(3R)-5-(4-fluorophenyl)-2-oxo-4-phenyl-3-(phenylcarbamoyl)-3-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Alternate CAS Number

Free acid: 906552-18-9

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Atorvastatin; Atorvastatin Calcium

Purity

>95% (HPLC)