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Product Overview

Product Code

TRC-A791820

CAS Number

1315629-79-8

Product Format

Neat

Molecular Formula

C33 H34 F N2 O7 . Na

Molecular Weight

612.62

API Family

Atorvastatin, Atorvastatin Calcium

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Alternate CAS Number

Free acid: 873950-18-6

Documentation

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Product Information

Chemical Data

Analyte Name

Atorvastatin Cyclic (Fluorophenyl) Sodium Salt Impurity

CAS Number

1315629-79-8

Molecular Formula

C33 H34 F N2 O7 . Na

Molecular Weight

612.62

Accurate Mass

612.2248

SMILES

[Na+].CC(C)C1(O)N2CCC(CC(O)CC(=O)[O-])OC2(c3ccc(F)cc3)C4(OC14C(=O)Nc5ccccc5)c6ccccc6

InChI

InChI=1S/C33H35FN2O7.Na/c1-21(2)32(41)31(29(40)35-25-11-7-4-8-12-25)30(43-31,22-9-5-3-6-10-22)33(23-13-15-24(34)16-14-23)36(32)18-17-27(42-33)19-26(37)20-28(38)39;/h3-16,21,26-27,37,41H,17-20H2,1-2H3,(H,35,40)(H,38,39);/q;+1/p-1

IUPAC

sodium;4-[1b-(4-fluorophenyl)-7-hydroxy-1a-phenyl-7a-(phenylcarbamoyl)-7-propan-2-yl-4,5-dihydro-3H-oxireno[1,2]pyrrolo[3,5-b][1,3]oxazin-3-yl]-3-hydroxybutanoate

Alternate CAS Number

Free acid: 873950-18-6

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Atorvastatin; Atorvastatin Calcium

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