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Tofacitinib 13C

SZ CAT No SZ-T010D04
CAS No NA
Mol.F. C1313C3H22N6O
Mol.Wt. 317.4
Inv. Status Custom Synthesis


Chemical Name: 3-((3R,4R)-3-((7,7a-Dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile-1,2,3-13C3

Smiles: CN(C1=C2C(NC=C2)NC=N1)[C@H]3CN([13C]([13CH2][13C]#N)=O)CC[C@H]3C

Inchi: InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16?,17-,19?,21+,22+,23+,24-/m1/s1