Analyte Name

Defluoro Atorvastatin Sodium Salt

Molecular Formula

C33 H35 N2 Na O5

Molecular Weight

562.631

Accurate Mass

562.244

SMILES

CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccccc4)n1CC[C@@H](O)C[C@@H](O)CC(=O)O[Na]

InChI

InChI=1S/C33H36N2O5.Na/c1-22(2)31-30(33(40)34-25-16-10-5-11-17-25)29(23-12-6-3-7-13-23)32(24-14-8-4-9-15-24)35(31)19-18-26(36)20-27(37)21-28(38)39;/h3-17,22,26-27,36-37H,18-21H2,1-2H3,(H,34,40)(H,38,39);/q;+1/p-1/t26-,27-;/m1./s1

IUPAC

[(3R,5R)-7-[2,3-diphenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoyl]oxysodium

Alternate CAS Number

433289-84-0 - Free acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat