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Tofacitinib Citrate Recamic Mixture

SZ CAT No SZ-T010093
CAS No NA
Mol.F. C16H20N6O
Mol.Wt. 312.4
Inv. Status Custom Synthesis


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

Smiles: C[C@@H]1[C@H](N(C)C2=NC=NC3=C2C=CN3)CN(C(CC#N)=O)CC1.C[C@H]4[C@@H](N(C)C5=NC=NC6=C5C=CN6)CN(C(CC#N)=O)CC4

Inchi: InChI=1S/C45H57NO14.C3H6O/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47;1-3(2)4/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52);1-2H3/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+;/m0./s1