4-Hydroxy Atorvastatin-d5 Acetonide tert-Butyl Ester

Analyte Name

4-Hydroxy Atorvastatin-d5 Acetonide tert-Butyl Ester

CAS Number

265989-38-6

Molecular Formula

C40H42D5FN2O6

Molecular Weight

675.84

Accurate Mass

675.3732

SMILES

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2c(NC(=O)c3ccc(O)cc3)c(C(C)C)n(CCC4CC(CC(=O)OC(C)(C)C)OC(C)(C)O4)c2c5ccc(F)cc5

InChI

InChI=1S/C40H47FN2O6/c1-25(2)36-35(42-38(46)28-15-19-30(44)20-16-28)34(26-11-9-8-10-12-26)37(27-13-17-29(41)18-14-27)43(36)22-21-31-23-32(48-40(6,7)47-31)24-33(45)49-39(3,4)5/h8-20,25,31-32,44H,21-24H2,1-7H3,(H,42,46)/i8D,9D,10D,11D,12D

IUPAC

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

Unlabelled CAS Number

265989-36-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat