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Product Overview

Product Code

TRC-T528005

CAS Number

1092578-47-6

Product Format

Neat

Molecular Formula

C16 H20 N6 O

Molecular Weight

312.37

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

(3S,4S)-Tofacitinib

CAS Number

1092578-47-6

Molecular Formula

C16 H20 N6 O

Molecular Weight

312.37

Accurate Mass

312.17

SMILES

O=C(N1CC[C@@H]([C@@H](C1)N(C2=NC=NC3=C2C=CN3)C)C)CC#N

InChI

InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m0/s1

IUPAC

3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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