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Product Overview

Product Code

TRC-D445455

CAS Number

693793-87-2

Product Format

Neat

Molecular Formula

C40H46F2N2O5

Molecular Weight

672.8

Product Categories

TRC, Impurity Reference Materials , Pharmaceutical Toxicology Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Difluoro Atorvastatin Acetonide tert-Butyl Ester

CAS Number

693793-87-2

Molecular Formula

C40H46F2N2O5

Molecular Weight

672.8

Accurate Mass

672.34

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=C(F)C=C4)=C2C5=CC=C(F)C=C5

InChI

InChI=1S/C40H46F2N2O5/c1-25(2)36-35(38(46)43-30-11-9-8-10-12-30)34(26-13-17-28(41)18-14-26)37(27-15-19-29(42)20-16-27)44(36)22-21-31-23-32(48-40(6,7)47-31)24-33(45)49-39(3,4)5/h8-20,25,31-32H,21-24H2,1-7H3,(H,43,46)/t31-,32-/m0/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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