Analyte Name

Desfluoro-Abemaciclib-D5

Molecular Formula

C27 D5 H28 F N8

Molecular Weight

493.634

Accurate Mass

493.313

SMILES

[2H]C([2H])([2H])C([2H])([2H])N1CCN(Cc2ccc(Nc3nccc(n3)c4cc(F)c5nc(C)n(C(C)C)c5c4)nc2)CC1

InChI

InChI=1S/C27H33FN8/c1-5-34-10-12-35(13-11-34)17-20-6-7-25(30-16-20)33-27-29-9-8-23(32-27)21-14-22(28)26-24(15-21)36(18(2)3)19(4)31-26/h6-9,14-16,18H,5,10-13,17H2,1-4H3,(H,29,30,32,33)/i1D3,5D2

IUPAC

4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]methyl]pyridin-2-yl]pyrimidin-2-amine

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat