(3S,4R)-Tofacitinib

• Synonyms:

  (3S,4R)-Tofacitinib; 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, (3S,4R)-; (3S,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile; (3S,4R)-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-/m1/s1

• Additionnal Information:

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

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  +4°C

• CAS Number:

  1092578-48-7