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Product Overview

Product Code

TRC-M326296

CAS Number

2139382-75-3

Product Format

Neat

Molecular Formula

C28 H22 F3 N7 O2

Molecular Weight

545.52

API Family

Nilotinib

Product Categories

TRC, Impurity Reference Materials , Additional Cancer Bioactive Molecules

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Nilotinib 3-Imidazolyl N-oxide

CAS Number

2139382-75-3

Molecular Formula

C28 H22 F3 N7 O2

Molecular Weight

545.52

Accurate Mass

545.1787

SMILES

Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)n5cc(C)n(=O)c5

InChI

InChI=1S/C28H22F3N7O2/c1-17-5-6-19(10-25(17)36-27-33-9-7-24(35-27)20-4-3-8-32-14-20)26(39)34-22-11-21(28(29,30)31)12-23(13-22)37-15-18(2)38(40)16-37/h3-16H,1-2H3,(H,34,39)(H,33,35,36)

IUPAC

4-methyl-N-[3-(4-methyl-3-oxo-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzamide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Nilotinib

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