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Tofacitinib-d3 Citrate

SZ CAT No SZ-T010D01
CAS No NA
Mol.F. C16H17N6OD3 : C6H8O7
Mol.Wt. 315.4 : 192.1
Inv. Status Custom Synthesis


Chemical Name: (3S,4S)-4-Methyl-3-(methyl-d3-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile; 2-Isocyano-1-((3S,4S)-4-methyl-3-(methyl-d3(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)ethanone

Smiles: C[C@H]1[C@@H](N(C2=NC=NC3=C2C=CN3)C([2H])([2H])[2H])CN(C(CC#N)=O)CC1.OC(CC(C(O)=O)(O)CC(O)=O)=O

Inchi: InChI=1S/C22H29BrN6OS/c1-16-20(23)21(29(25-16)17-5-3-2-4-6-17)27-9-7-26(8-10-27)18-13-19(24-14-18)22(30)28-11-12-31-15-28/h2-6,18-19,24H,7-15H2,1H3/t18-,19-/m1/s1