Analyte Name

Abemaciclib-D8

CAS Number

2088650-53-5

Molecular Formula

C27 D8 H24 F2 N8

Molecular Weight

514.643

Accurate Mass

514.322

SMILES

[2H]C1([2H])N(CC)C([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/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)/i8D2,9D2,10D2,11D2

IUPAC

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

Unlabelled CAS Number

1231929-97-7

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Bioactive Small Molecule; API

Product Format

Neat

API Family

Abemaciclib