Atorvastatin Acetonide

Analyte Name

Atorvastatin Acetonide

CAS Number

581772-29-4

Molecular Formula

C36 H39 F N2 O5

Molecular Weight

598.70

Accurate Mass

598.2843

SMILES

CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H]5C[C@H](CC(=O)O)OC(C)(C)O5

InChI

InChI=1S/C36H39FN2O5/c1-23(2)33-32(35(42)38-27-13-9-6-10-14-27)31(24-11-7-5-8-12-24)34(25-15-17-26(37)18-16-25)39(33)20-19-28-21-29(22-30(40)41)44-36(3,4)43-28/h5-18,23,28-29H,19-22H2,1-4H3,(H,38,42)(H,40,41)/t28-,29-/m1/s1

IUPAC

2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Impurity

Product Format

Neat

Impurity Type

Intermediate

API Family

Atorvastatin Calcium

Purity

>95% (HPLC)