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Product Overview

Product Code

TRC-D292345

CAS Number

404844-03-7

Product Format

Neat

Molecular Formula

C28 H29 N7 O . C H4 O3 S

Molecular Weight

575.68

Product Categories

TRC, Enzyme inhibitors, Kinase Modulators, Kinase Inhibitors, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

N-Desmethyl Imatinib mesylate

CAS Number

404844-03-7

Molecular Formula

C28 H29 N7 O . C H4 O3 S

Molecular Weight

575.68

Accurate Mass

575.2315

SMILES

Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc4nccc(n4)c5cccnc5.CS(=O)(=O)O

InChI

InChI=1S/C28H29N7O.CH4O3S/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35;1-5(2,3)4/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34);1H3,(H,2,3,4)

IUPAC

methanesulfonic acid;N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

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