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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/C20H25N5/c1-15-9-11-25(12-16-6-4-3-5-7-16)13-18(15)24(2)20-17-8-10-21-19(17)22-14-23-20/h3-8,10,14-15,18H,9,11-13H2,1-2H3,(H,21,22,23)/t15-,18-/m0/s1