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Product Overview

Product Code

TRC-H828930

CAS Number

265989-46-6

Product Format

Neat

Molecular Formula

C66H68CaF2N4O12

Molecular Weight

1187.35

API Family

Atorvastatin

Product Categories

Product Type

Impurity, Metabolite, API

Alternate CAS Number

Free acid: 214217-86-4

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

2-Hydroxy Atorvastatin Calcium Salt

CAS Number

265989-46-6

Molecular Formula

C66H68CaF2N4O12

Molecular Weight

1187.35

Accurate Mass

1186.4428

SMILES

FC(C=C1)=CC=C1C2=C(C3=CC=CC=C3)C(C(NC4=CC=CC=C4O)=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)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41;/h2*3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);/q;;+2/p-2/t2*24-,25-;/m11./s1

IUPAC

calcium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Alternate CAS Number

Free acid: 214217-86-4

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Metabolite

Product Format

Neat

API Family

Atorvastatin

Purity

>95% (HPLC)

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Product Overview

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Chemical Data

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2-Hydroxy Atorvastatin Calcium Salt

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