Analytenname

(3S,4R)-Tofacitinib-d3

Molekularformel

C16H17D3N6O

Molekulargewicht

315.39

Genaue Masse

315.19

SMILES

O=C(N1CC[C@H]([C@@H](C1)N(C2=NC=NC3=C2C=CN3)C([2H])([2H])[2H])C)CC#N

InChI

InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m1/s1/i2D3

IUPAC

3-((3S,4R)-4-methyl-3-((methyl-d3)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile

Nicht gekennzeichnete CAS-Nummer

1092578-48-7

SIL-Typ

Deuterium

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat