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Tofacitinib Impurity A

SZ CAT No SZ-T010002
CAS No 1092578-46-5
Mol.F. C16H20N6O
Mol.Wt. 312.4
Inv. Status Under Synthesis


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

Synonym: (3R,4S)-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