Analyte Name

Abrocitinib-d3

Molecular Formula

C14H18D3N5O2S

Molecular Weight

326.43

Accurate Mass

326.1604

SMILES

O=S(N[C@@H](C1)C[C@@H]1N(C([2H])([2H])[2H])C2=C3C(NC=C3)=NC=N2)(CCC)=O

InChI

InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+/i2D3

IUPAC

N-((1s,3s)-3-((methyl-d3)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclobutyl)propane-1-sulfonamide

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat