Nombre del analito

(3R,4R)-4-Hydroxy-Tofacitinib

Fórmula molecular

C16H20N6O2

Peso molecular

328.38

Masa exacta

328.16

SMILES

O[C@]1(C)CCN(C(CC#N)=O)C[C@H]1N(C2=NC=NC3=C2C=CN3)C

InChI

InChI=1S/C16H20N6O2/c1-16(24)5-8-22(13(23)3-6-17)9-12(16)21(2)15-11-4-7-18-14(11)19-10-20-15/h4,7,10,12,24H,3,5,8-9H2,1-2H3,(H,18,19,20)/t12-,16-/m1/s1

IUPAC

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

País de origen

CANADA

Formato del producto

Neat