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Product Overview

Product Code

TRC-F595716

CAS Number

265989-42-2

Product Format

Neat

Molecular Formula

C40H42D5FN2O6

Molecular Weight

675.84

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

265989-40-0

Documentation

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Product Information

Chemical Data

Analyte Name

2-Hydroxy Atorvastatin-d5 Acetonide tert-Butyl Ester

CAS Number

265989-42-2

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)c3ccccc3O)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)31-15-11-12-16-32(31)44)34(26-13-9-8-10-14-26)37(27-17-19-28(41)20-18-27)43(36)22-21-29-23-30(48-40(6,7)47-29)24-33(45)49-39(3,4)5/h8-20,25,29-30,44H,21-24H2,1-7H3,(H,42,46)/i8D,9D,10D,13D,14D

IUPAC

tert-butyl 2-[6-[2-[2-(4-fluorophenyl)-4-[(2-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

265989-40-0

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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