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Tofacitinib Impurity B

SZ CAT No SZ-T010003
CAS No 1092578-48-7
Mol.F. C16H20N6O
Mol.Wt. 312.4
Inv. Status Under Synthesis


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

Synonym: (3S,4R)-Tofacitinib

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

Inchi: InChI=1S/C16H20N6O.C6H8O7/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13+;/m1./s1