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Tofacitinib

SZ CAT No SZ-T010095
CAS No 477600-75-2
Mol.F. C16H20N6O
Mol.Wt. 312.4
Inv. Status Custom Synthesis
Rel. CAS No 540737-29-9 (citrate salt)


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

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

Inchi: InChI=1S/C30H33N7O9S/c38-30(34-47(43,44)24-2-4-26(27(17-24)36(40)41)32-18-20-6-13-45-14-7-20)25-3-1-22(37(42)11-9-35(39)10-12-37)16-28(25)46-23-15-21-5-8-31-29(21)33-19-23/h1-5,8,15-17,19-20,32,35H,6-7,9-14,18H2,(H,31,33)(H,34,38)