Imatinib (Piperidine)-N,N-dioxide

Analyte Name

Imatinib N1,N4-dioxide

CAS Number

571186-93-1

Molecular Formula

C29 H31 N7 O3

Molecular Weight

525.60

Accurate Mass

525.2488

SMILES

Cc1ccc(NC(=O)c2ccc(C[N+]3([O-])CC[N+](C)([O-])CC3)cc2)cc1Nc4nccc(n4)c5cccnc5

InChI

InChI=1S/C29H31N7O3/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36(39)16-14-35(2,38)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)

IUPAC

4-[(4-methyl-1,4-dioxidopiperazine-1,4-diium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Impurity Type

Intermediate

API Family

Imatinib Mesylate; Imatinib

Purity

>95% (HPLC)