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Tofacitinib Diastereomer-1 and 2

SZ CAT No SZ-T010063
CAS No NA
Mol.F. C16H20N6O : C6H8O7
Mol.Wt. 312.4 : 192.1
Inv. Status Under Synthesis


Chemical Name: 3-((3R,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile 3-((3S,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile bis(2-hydroxypropane-1,2,3-tricarboxylate)

Smiles: C[C@H]1[C@H](N(C2=C3C(NC=C3)=NC=N2)C)CN(C(CC#N)=O)CC1.C[C@@H]4[C@@H](N(C5=C6C(NC=C6)=NC=N5)C)CN(C(CC#N)=O)CC4.OC(CC(C(O)=O)(O)CC(O)=O)=O.OC(CC(C(O)=O)(O)CC(O)=O)=O

Inchi: InChI=1S/C13H19N5/c1-9-3-5-14-7-11(9)18(2)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,15,16,17)/t9-,11+/m0/s1