Analyte Name

Isopropyl Acetonide Atorvastatin

CAS Number

1112262-71-1

Molecular Formula

C39 H45 F N2 O5

Molecular Weight

640.783

Accurate Mass

640.331

SMILES

CC(C)OC(=O)C[C@H]1C[C@@H](CCn2c(C(C)C)c(C(=O)Nc3ccccc3)c(c4ccccc4)c2c5ccc(F)cc5)OC(C)(C)O1

InChI

InChI=1S/C39H45FN2O5/c1-25(2)36-35(38(44)41-30-15-11-8-12-16-30)34(27-13-9-7-10-14-27)37(28-17-19-29(40)20-18-28)42(36)22-21-31-23-32(47-39(5,6)46-31)24-33(43)45-26(3)4/h7-20,25-26,31-32H,21-24H2,1-6H3,(H,41,44)/t31-,32-/m1/s1

IUPAC

propan-2-yl 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]acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat