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Tofacitinib Impurity 3

SZ CAT No SZ-T010062
CAS No 1206825-36-6
Mol.F. C13H19N5
Mol.Wt. 245.3
Inv. Status Custom Synthesis


Chemical Name: (N-Methyl-N-((3S,4S)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)

Smiles: C[C@@H]1[C@H](N(C)C2=C3C(NC=C3)=NC=N2)CNCC1

Inchi: InChI=1S/C41H61N9O11S2/c1-5-22(3)33-39(58)49-34(23(4)51)40(59)46-28(20-31(42)52)36(55)47-29(41(60)50-17-8-10-30(50)38(57)45-26-9-7-16-43-35(26)54)21-63-62-18-15-32(53)44-27(37(56)48-33)19-24-11-13-25(14-12-24)61-6-2/h11-14,22-23,26-30,33-34,51H,5-10,15-21H2,1-4H3,(H2,42,52)(H,43,54)(H,44,53)(H,45,57)(H,46,59)(H,47,55)(H,48,56)(H,49,58)/t22-,23+,26-,27+,28-,29?,30-,33-,34-/m0/s1