Gleevec-d8 Mesylate (Imatinib-d8 Mesylate)

Analyte Name

Imatinib piperazinyl-d8 Mesilate

CAS Number

1092942-83-0

Molecular Formula

C29 2H8 H23 N7 O . C H4 O3 S

Molecular Weight

597.76

Accurate Mass

597.2973

SMILES

[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)C1([2H])[2H].CS(=O)(=O)O

InChI

InChI=1S/C29H31N7O.CH4O3S/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)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)/i14D2,15D2,16D2,17D2;

IUPAC

methanesulfonic acid;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)methyl]benzamide

Unlabelled CAS Number

220127-57-1

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)