Analytenname

Tofacitinib Dimer Impurity

Molekularformel

C33H40N12O2

Molekulargewicht

636.74

Genaue Masse

636.33

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)C(CC(C#N)C(=O)N4CC[C@@H](C)[C@H](C4)N(C)c5ncnc6[nH]ccc56)C#N

InChI

InChI=1S/C33H40N12O2/c1-20-7-11-44(16-26(20)42(3)30-24-5-9-36-28(24)38-18-40-30)32(46)22(14-34)13-23(15-35)33(47)45-12-8-21(2)27(17-45)43(4)31-25-6-10-37-29(25)39-19-41-31/h5-6,9-10,18-23,26-27H,7-8,11-13,16-17H2,1-4H3,(H,36,38,40)(H,37,39,41)/t20-,21-,22?,23?,26+,27+/m1/s1

IUPAC

2,4-bis[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carbonyl]pentanedinitrile

Lagertemperatur

-20°C

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat