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Product Overview

Product Code

TRC-H828937

CAS Number

265989-45-5

Product Format

Neat

Molecular Formula

C66H58D10CaF2N4O12

Molecular Weight

1197.4

API Family

Atorvastatin

Product Categories

TRC, API Reference Standards & Research Materials, Impurity Reference Materials , Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Impurity, Metabolite, API

Alternate CAS Number

1581251-45-7

Unlabelled CAS Number

1276537-18-8

Documentation

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Product Information

Chemical Data

Analyte Name

4-Hydroxy Atorvastatin-d5 Hemicalcium Salt

CAS Number

265989-45-5

Molecular Formula

C66H58D10CaF2N4O12

Molecular Weight

1197.4

Accurate Mass

1196.5055

SMILES

FC(C=C1)=CC=C1C2=C(C3=C([2H])C([2H])=C([2H])C([2H])=C3[2H])C(C(NC4=CC=C(O)C=C4)=O)=C(C(C)C)N2CC[C@@H](O)C[C@@H](O)CC([O-])=[O-].[Ca+2]

InChI

InChI=1S/2C33H35FN2O6.Ca/c2*1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41;/h2*3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);/q;;+2/p-2/t2*26-,27-;/m11./s1/i2*3D,4D,5D,6D,7D;

Alternate CAS Number

1581251-45-7

Unlabelled CAS Number

1276537-18-8

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Metabolite; API

Product Format

Neat

API Family

Atorvastatin

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Product Overview

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Chemical Data

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