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Tofacitinib Related Compound 21 

SZ CAT No SZ-T010044
CAS No 1809002-40-1
Mol.F. C16H22N6O : C6H8O7
Mol.Wt. 314.4 : 192.1
Inv. Status Under Synthesis
Rel. CAS No 1640972-35-5 (free base)


Chemical Name: 3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile 2-hydroxypropane-1,2,3-tricarboxylate

Smiles: C[C@H]1[C@@H](N(C)C2=NC=NC3=C2CCN3)CN(C(CC#N)=O)CC1.O=C(CC(C(O)=O)(O)CC(O)=O)O

Inchi: InChI=1S/C23H26N6O3S/c1-16-4-6-18(7-5-16)33(31,32)29-13-10-19-22(25-15-26-23(19)29)27(3)20-14-28(12-9-17(20)2)21(30)8-11-24/h4-7,10,13,15,17,20H,8-9,12,14H2,1-3H3/t17-,20+/m1/s1