Nombre del analito

(3R,4S)-Tofacitinib-d3

Fórmula molecular

C16 D3 H17 N6 O

Peso molecular

315.388

Masa exacta

315.189

SMILES

[2H]C([2H])([2H])N([C@@H]1CN(CC[C@H]1C)C(=O)C[N+]#[C-])c2ncnc3[nH]ccc23

InChI

InChI=1S/C16H20N6O/c1-11-5-7-22(14(23)8-17-2)9-13(11)21(3)16-12-4-6-18-15(12)19-10-20-16/h4,6,10-11,13H,5,7-9H2,1,3H3,(H,18,19,20)/t11-,13-/m1/s1/i3D3

IUPAC

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

Número CAS sin etiquetar

1092578-46-5

Tipo SIL

Deuterium

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat