Nilotinib Regio Isomer

Analyte Name

Nilotinib regioisomer

CAS Number

641571-15-5

Molecular Formula

C28 H22 F3 N7 O

Molecular Weight

529.52

Accurate Mass

529.1838

SMILES

Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)n5cncc5C

InChI

InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-34-9-7-24(36-27)20-4-3-8-32-15-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-16-33-14-18(38)2/h3-16H,1-2H3,(H,35,39)(H,34,36,37)

IUPAC

4-methyl-N-[3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Nilotinib

Purity

>95% (HPLC)