Analyte Name

Des-6-[4-(2-hydroxyethyl)-1-piperazinyl]-6-chloro-O-pivalate Dasatinib

CAS Number

910297-70-0

Molecular Formula

C21 H21 Cl2 N5 O3 S

Molecular Weight

494.39

Accurate Mass

493.0742

SMILES

Cc1nc(Cl)cc(Nc2ncc(s2)C(=O)Nc3c(Cl)cccc3COC(=O)C(C)(C)C)n1

InChI

InChI=1S/C21H21Cl2N5O3S/c1-11-25-15(23)8-16(26-11)27-20-24-9-14(32-20)18(29)28-17-12(6-5-7-13(17)22)10-31-19(30)21(2,3)4/h5-9H,10H2,1-4H3,(H,28,29)(H,24,25,26,27)

IUPAC

[3-chloro-2-[[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonyl]amino]phenyl]methyl 2,2-dimethylpropanoate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Metabolite; API

Product Format

Neat

API Family

Dasatinib