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Substance Name: Tofacitinib [USAN:INN]
RN: 477600-75-2
UNII: 87LA6FU830
InChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-N

Classification Codes

  • Enzyme Inhibitors
  • Protein Kinase Inhibitors
  • Treatment of Immunological Disorders

Molecular Formula

  • C16-H20-N6-O

Molecular Weight

  • 312.375
 

Names and Synonyms

Name of Substance

  • Tofacitinib
  • Tofacitinib [USAN:INN]

Synonyms

  • 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
  • CP 690550
  • CP-690,550
  • CP-690550
  • HSDB 8311
  • Tasocitinib
  • Tofacitinib
  • UNII-87LA6FU830

Systematic Name

  • 3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo(2,3-d)pyrimidin-4-yl-, (3R,4R)-

Registry Numbers

CAS Registry Number

  • 477600-75-2

FDA UNII

  • 87LA6FU830

System Generated Number

  • 0477600752

Structure Descriptors

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

InChIKey

UJLAWZDWDVHWOW-YPMHNXCESA-N

Smiles

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