rac-Ruxolitinib-d9 (major)

Analyte Name

rac-Ruxolitinib-d9

CAS Number

2469553-67-9

Molecular Formula

C17 H9 D9 N6

Molecular Weight

315.42

Accurate Mass

315.2158

SMILES

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])C(CC#N)N(N=C2)C=C2C3=NC=NC4=C3C=CN4

InChI

InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/i1D2,2D2,3D2,4D2,12D

IUPAC

3-(1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile

Unlabelled CAS Number

941688-05-7

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Ruxolitinib

Purity

>95% (HPLC)