Analyte Name

rac-3-Oxo Atorvastatin Sodium Salt

CAS Number

1391052-00-8

Molecular Formula

C33 H32 F N2 Na O5

Molecular Weight

578.60

Accurate Mass

578.2193

SMILES

[Na+].CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CCC(O)CC(=O)CC(=O)[O-]

InChI

InChI=1S/C33H33FN2O5.Na/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;/h3-16,21,26,37H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;+1/p-1

IUPAC

sodium;7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-5-hydroxy-3-oxo-heptanoate

Alternate CAS Number

Free acid: 1391194-36-7

Country of Origin

CANADA

Product Format

Neat