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Product Overview

Product Code

TRC-C954500

Product Format

Neat

Molecular Formula

C19 H21 N7 O2

Molecular Weight

379.416

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

Cyanoacetyl Tofacitinib

Molecular Formula

C19 H21 N7 O2

Molecular Weight

379.416

Accurate Mass

379.176

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3c2ccn3C(=O)CC#N)C(=O)CC#N

InChI

InChI=1S/C19H21N7O2/c1-13-5-9-25(16(27)3-7-20)11-15(13)24(2)18-14-6-10-26(17(28)4-8-21)19(14)23-12-22-18/h6,10,12-13,15H,3-5,9,11H2,1-2H3/t13-,15+/m1/s1

IUPAC

3-[4-[[(3R,4R)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxopropanenitrile

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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