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Product Overview

Product Code

TRC-A791755

CAS Number

1105067-88-6

Product Format

Neat

Molecular Formula

2 C33 H34 F N2 O5 . Ca

Molecular Weight

1155.34

API Family

Atorvastatin Calcium, Atorvastatin

Product Categories

TRC, Enzyme inhibitors, Impurity Reference Materials , Enzyme inhibitors

Product Type

Impurity

Alternate CAS Number

Free acid: 501121-34-2

Documentation

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Product Information

Chemical Data

Analyte Name

ent-Atorvastatin Calcium Salt

CAS Number

1105067-88-6

Molecular Formula

2 C33 H34 F N2 O5 . Ca

Molecular Weight

1155.34

Accurate Mass

1154.4529

SMILES

[Ca+2].CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@H](O)C[C@H](O)CC(=O)[O-].CC(C)c5c(C(=O)Nc6ccccc6)c(c7ccccc7)c(c8ccc(F)cc8)n5CC[C@H](O)C[C@H](O)CC(=O)[O-]

InChI

InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m00./s1

IUPAC

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

Alternate CAS Number

Free acid: 501121-34-2

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Atorvastatin Calcium; Atorvastatin

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(3S,5S)-Atorvastatin Calcium Salt

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