Dasatinib N-Oxide

Analyte Name

Dasatinib N-Oxide

CAS Number

910297-52-8

Molecular Formula

C22 H26 Cl N7 O3 S

Molecular Weight

504.00

Accurate Mass

503.1506

SMILES

Cc1cccc(Cl)c1NC(=O)c2cnc(Nc3cc(nc(C)n3)N4CC[N+]([O-])(CCO)CC4)s2

InChI

InChI=1S/C22H26ClN7O3S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(34-17)27-18-12-19(26-15(2)25-18)29-6-8-30(33,9-7-29)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)

IUPAC

N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-4-oxidopiperazin-4-ium-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Impurity

Product Format

Neat

API Family

Dasatinib

Purity

>95% (HPLC)