(3S,4S)-Tofacitinib

Product Specifications

CAS Number

1092578-47-6

Synonyms

1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, (3S,4S)-; (3S,4S)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile; (3S,4S)-Tofacitinib; ent-Tofacitinib

Hazard Statement

Harmful if swallowed

Purity

>95% (HPLC)

Smiles

C[C@H]1CCN(C[C@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N

Molecular Formula

C16 H20 N6 O

Molecular Weight

312.37

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

Additionnal Information

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

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

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