2-Fluoro Atorvastatin tert-Butyl Ester

Analyte Name

2-Fluoro Atorvastatin tert-Butyl Ester

CAS Number

1099474-28-8

Molecular Formula

C40H47FN2O5

Molecular Weight

654.81

Accurate Mass

654.35

SMILES

O=C(NC1=CC=CC=C1)C2=C(C(C)C)N(CC[C@@H](OC(C)(C)O3)C[C@@H]3CC(OC(C)(C)C)=O)C(C4=CC=CC=C4F)=C2C5=CC=CC=C5

InChI

InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-28-18-12-9-13-19-28)34(27-16-10-8-11-17-27)37(31-20-14-15-21-32(31)41)43(36)23-22-29-24-30(47-40(6,7)46-29)25-33(44)48-39(3,4)5/h8-21,26,29-30H,22-25H2,1-7H3,(H,42,45)/t29-,30-/m1/s1

IUPAC

tert-butyl 2-((4R,6R)-6-(2-(2-(2-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat