Imatinib (Piperidine)-1-oxide

Analyte Name

Imatinib (Piperidine)-1-oxide

CAS Number

938082-57-6

Molecular Formula

C29 H31 N7 O2

Molecular Weight

509.60

Accurate Mass

509.2539

SMILES

CN1CC[N+]([O-])(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1

InChI

InChI=1S/C29H31N7O2/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(38)16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)

IUPAC

4-[(4-methyl-1-oxidopiperazin-1-ium-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

API Family

Imatinib

Purity

>95% (HPLC)