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Product Overview

Product Code

TRC-N465310

CAS Number

1246817-85-5

Product Format

Neat

Molecular Formula

C28 H22 F3 N7 O2

Molecular Weight

545.52

API Family

Nilotinib

Product Categories

TRC, Immunosuppressants, Impurity Reference Materials

Product Type

Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

Nilotinib pyridinyl-N-oxide

CAS Number

1246817-85-5

Molecular Formula

C28 H22 F3 N7 O2

Molecular Weight

545.52

Accurate Mass

545.1787

SMILES

Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5ccc[n+]([O-])c5)c3)cc(c2)C(F)(F)F

InChI

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

IUPAC

4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]benzamide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Nilotinib

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Nilotinib N-Oxide

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