Tofacitinib

CAS Registry Number®

477600-75-2
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CAS Name

Tofacitinib

Molecular Formula

C16H20N6O

Molecular Mass

312.37

Cite this Page

Tofacitinib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=477600-75-2 (retrieved 2024-03-29) (CAS RN: 477600-75-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=UJLAWZDWDVHWOW-YPMHNXCESA-N

SMILES

N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(CC#N)=O)CC[C@H]3C

Canonical SMILES

N#CCC(=O)N1CCC(C)C(N(C=2N=CN=C3NC=CC32)C)C1

Other Names for this Substance

  • 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, (3R,4R)-
  • 3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo[2,3-d]pyrimidin-4-yl-, (3R,4R)-
  • (3R,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile
  • CP 690550
  • Tofacitinib

Deleted or Replaced CAS Registry Numbers

2097815-04-6

CAS INSIGHTSTM
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