A 419259 Trihydrochloride-D3

Analyte Name

A 419259 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](CC5)N6CCN(CC6)C([2H])([2H])[2H].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-((1r,4r)-4-(4-(methyl-d3)piperazin-1-yl)cyclohexyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine trihydrochloride

Alternate CAS Number

1435934-25-0-D3

Unlabelled CAS Number

1435934-25-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat