Analyte Name

RK 20448-Trihydrochloride-D3

Molecular Formula

C29H31D3N6O • 3HCl

Molecular Weight

595.02

Accurate Mass

593.24

SMILES

NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=CN2[C@@H]5CC[C@H](N6CCN(C([2H])([2H])[2H])CC6)CC5.Cl.Cl.Cl

InChI

InChI=1S/C29H34N6O.3ClH/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24;;;/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32);3*1H/t22-,23+;;;/i1D3;;;

IUPAC

7-((1s,4s)-4-(4-(methyl-d3)piperazin-1-yl)cyclohexyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine trihydrochloride

Unlabelled CAS Number

479501-40-1-D3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat