Analytenname

(3S,4S)-2-Chloro-Tofacitinib

Molekularformel

C16 H19 Cl N6 O

Molekulargewicht

346.815

Genaue Masse

346.131

SMILES

C[C@H]1CCN(C[C@H]1N(C)c2nc(Cl)nc3[nH]ccc23)C(=O)CC#N

InChI

InChI=1S/C16H19ClN6O/c1-10-5-8-23(13(24)3-6-18)9-12(10)22(2)15-11-4-7-19-14(11)20-16(17)21-15/h4,7,10,12H,3,5,8-9H2,1-2H3,(H,19,20,21)/t10-,12+/m0/s1

IUPAC

3-[(3S,4S)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat