Analyte Name

4-Benzyloxy Atorvastatin-d5 Acetonide tert-Butyl Ester

CAS Number

265989-37-5

Molecular Formula

C47H48D5FN2O6

Molecular Weight

765.96

Accurate Mass

765.4201

SMILES

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2c(C(=O)Nc3ccc(OCc4ccccc4)cc3)c(C(C)C)n(CCC5CC(CC(=O)OC(C)(C)C)OC(C)(C)O5)c2c6ccc(F)cc6

InChI

InChI=1S/C47H53FN2O6/c1-31(2)43-42(45(52)49-36-22-24-37(25-23-36)53-30-32-14-10-8-11-15-32)41(33-16-12-9-13-17-33)44(34-18-20-35(48)21-19-34)50(43)27-26-38-28-39(55-47(6,7)54-38)29-40(51)56-46(3,4)5/h8-25,31,38-39H,26-30H2,1-7H3,(H,49,52)/i9D,12D,13D,16D,17D

IUPAC

tert-butyl 2-[6-[2-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-[(4-phenylmethoxyphenyl)carbamoyl]-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Unlabelled CAS Number

163217-68-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat