Analyte Name

Desethyl-Abemaciclib-D8

Molecular Formula

C25 D8 H20 F2 N8

Molecular Weight

486.589

Accurate Mass

486.291

SMILES

[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(Cc2ccc(Nc3ncc(F)c(n3)c4cc(F)c5nc(C)n(C(C)C)c5c4)nc2)C1([2H])[2H]

InChI

InChI=1S/C25H28F2N8/c1-15(2)35-16(3)31-24-19(26)10-18(11-21(24)35)23-20(27)13-30-25(33-23)32-22-5-4-17(12-29-22)14-34-8-6-28-7-9-34/h4-5,10-13,15,28H,6-9,14H2,1-3H3,(H,29,30,32,33)/i6D2,7D2,8D2,9D2

IUPAC

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)methyl]pyridin-2-yl]pyrimidin-2-amine

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat