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Introduction
Conclusion: teriflunomide (A771726) is an active metabolite of leflunomide, which can be used in the study of rheumatoid arthritis It inhibits pyrimidine synthesis, thus effectively reducing T cell and B cell proliferation
Names and Identifiers
  • (Z)-2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)but-2-enamide
  • Teriflunomide
  • A77 1726
  • A-771726
  • Flucyamide
  • (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
  • A 77-1726
  • Aubagio
  • (Z)-2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-butenamide
  • A 1726
  • HMR 1726
  • N-(4-Trifluoromethylphenyl)-2-cyano-3-hydroxycrotoamide
  • SU 20
  • N-[4-(Trifluoromethyl)phenyl]-2-cyano-3-hydroxycrotonamide
  • A77 1726 (Teriflunomide)
  • LeflunoMide EP IMpurity B
  • HMR1726
  • A 771726
  • teriflunomida
  • teriflunomidum
  • RS 61980
  • A771726
  • 2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-2-butenamide
  • (Z)-2-cyano-alpha,alpha,alpha-trifluoro-3-hydroxy-p-crotonotoluidide
  • 1C058IKG3B
  • N-(4-Trifluoromethylphenyl)-2-cyano-2-hydroxycrotonamide
  • (Z)-2-cyano-3-hydroxy-N-[4-(trifluoro
  • Leflunomide Imp. B (EP): (2Z)-2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide (Teriflunomide)
  • MDL:MFCD00910058
  • InChIKey:UTNUDOFZCWSZMS-YFHOEESVSA-N
  • Inchi:1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
  • SMILES:FC(C1C([H])=C([H])C(=C([H])C=1[H])N([H])C(/C(/C#N)=C(/C([H])([H])[H])\O[H])=O)(F)F
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 270.06200
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Rotatable Bond Count: 2
  • Heavy Atom Count: 19
  • Complexity: 426
  • Topological Polar Surface Area: 73.1

Experimental Properties

  • LogP: 3.07248
  • PSA: 73.12000
  • Merck: 9165
  • Boiling Point: 410.8±45.0°C at 760 mmHg
  • Melting Point: 227.0 to 231.0 deg-C
  • Flash Point: 202.3±28.7 °C
  • Solubility: Almost insoluble (0.026 g/l) (25 º C),
  • Color/Form: Powder
  • λmax: 203(MeOH)(lit.)
  • Density: 1.424±0.06 g/cm3 (20 ºC 760 Torr),
Security Information
  • Symbol: GHS07
  • WGK Germany:3
  • Safety Instruction:H303 may be harmful by ingestion +h313 may be harmful by skin contact +h333 may be harmful by inhalation
  • Dangerous goods sign: Xn Xn
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Statement:H302
  • Warning Statement:P264-P270-P301+P312+P330-P501
  • Prompt:warning
  • Storage Condition:Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • Hazard Category Code:22
  • Signal Word:Warning
Customs Data
  • HS CODE:2942000000
  • Customs Data:

    China Customs Code:

    2942000000
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