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Tofacitinib Mixure of Diastereomers

SZ CAT No SZ-T010094
CAS No NA
Mol.F. C16H20N6O : C6H8O7
Mol.Wt. 312.4 : 192.1
Inv. Status Custom Synthesis


Chemical Name: 2-Hydroxypropane-1,2,3-tricarboxylic acid, (3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropylidyne)ammonium salt

Smiles: [NH+]#CCC(N1CC(N(C)C2=C3C(NC=C3)=NC=N2)C(C)CC1)=O.O=C(CC(C(O)=O)(O)CC(O)=O)O

Inchi: InChI=1S/C30H39NO7/c1-29-11-9-18(37-28-25(34)23(32)24(33)26(38-28)27(35)36)14-17(29)5-6-19-21-8-7-20(16-4-3-13-31-15-16)30(21,2)12-10-22(19)29/h3-5,7,13,15,18-19,21-26,28,32-34H,6,8-12,14H2,1-2H3,(H,35,36)/t18-,19-,21-,22-,23-,24-,25+,26-,28?,29-,30+/m0/s1