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Product Overview

Product Code

TRC-A791705

CAS Number

1105067-87-5

EP Description

Atorvastatin EP Impurity F

Product Format

Neat

Molecular Formula

2 C40 H47 F N3 O8 . Ca

Molecular Weight

1473.71

API Family

Atorvastatin, Atorvastatin Calcium

Product Categories

Pharmaceutical Reference Standards, TRC, Impurity Reference Materials , Chiral Molecules , Cardiac drugs and beta blockers, Cardiac drugs and beta blockers, Cardiac drugs and beta blockers, API Reference Standards & Research Materials

Product Type

Impurity, API, Synthesis tool

Alternate CAS Number

Free base: 887196-24-9

Drug Type

Cardiac Drugs

Documentation

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Product Information

Chemical Data

Analyte Name

Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide

CAS Number

1105067-87-5

Molecular Formula

2 C40 H47 F N3 O8 . Ca

Molecular Weight

1473.71

Accurate Mass

1472.632

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)NCC[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)NCC[C@@H](O)C[C@@H](O)CC(=O)[O-]

InChI

InChI=1S/2C40H48FN3O8.Ca/c2*1-25(2)38-37(40(52)43-29-11-7-4-8-12-29)36(26-9-5-3-6-10-26)39(27-13-15-28(41)16-14-27)44(38)20-18-31(46)22-32(47)23-34(49)42-19-17-30(45)21-33(48)24-35(50)51;/h2*3-16,25,30-33,45-48H,17-24H2,1-2H3,(H,42,49)(H,43,52)(H,50,51);/q;;+2/p-2/t2*30-,31-,32-,33-;/m11./s1

IUPAC

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

Alternate CAS Number

Free base: 887196-24-9

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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Product Overview

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Product Information

Chemical Data

Product Data

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