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Product Overview

Product Code

TRC-E927985

CAS Number

1187595-89-6

Product Format

Neat

Molecular Formula

C17 H19 N7 O3 S

Molecular Weight

401.443

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity

Product Information

Chemical Data

Analyte Name

N-7-Hydroxymethyl Baricitinib

CAS Number

1187595-89-6

Molecular Formula

C17 H19 N7 O3 S

Molecular Weight

401.443

Accurate Mass

401.127

SMILES

CCS(=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4c3ccn4CO

InChI

InChI=1S/C17H19N7O3S/c1-2-28(26,27)23-9-17(10-23,4-5-18)24-8-13(7-21-24)15-14-3-6-22(12-25)16(14)20-11-19-15/h3,6-8,11,25H,2,4,9-10,12H2,1H3

IUPAC

2-[1-ethylsulfonyl-3-[4-[7-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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