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Substance Name: Benfluorex [INN:BAN:DCF]
RN: 23602-78-0
UNII: 403FO0NQG3
InChIKey: CJAVTWRYCDNHSM-UHFFFAOYSA-N

Classification Codes

  • Anti-Obesity Agents
  • Antilipemic Agents
  • Antimetabolites
  • Appetite Depressants
  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Hypolipidemic Agents
  • Lipid Regulating Agents

Molecular Formula

  • C19-H20-F3-N-O2

Molecular Weight

  • 351.366
 
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Names and Synonyms

Name of Substance

  • Benfluorex
  • Benfluorex [INN:BAN:DCF]

Synonyms

  • 2-((alpha-Methyl-m-(trifluoromethyl)phenethyl)amino)ethanol benzoate (ester)
  • 2-(alpha-Methyl-m-trifluoromethylphenethylamino)ethanol benzoate
  • Benfluorex
  • Benfluorexum
  • Benfluorexum [INN-Latin]
  • Benfluramate
  • BRN 4152887
  • EINECS 245-777-9
  • JP 992
  • Mediator
  • Minolip
  • N-(2-Hydroxyethyl)-alpha-methyl-m-trifluoromethylphenethylamine benzoate
  • Phenethylamine, N-(2-hydroxyethyl)-alpha-methyl-m-trifluoromethyl-, benzoate
  • SE 780
  • UNII-403FO0NQG3

Systematic Names

  • 2-((alpha-Methyl-m-(trifluoromethyl)phenethyl)amino)ethanol benzoate (ester)
  • Benfluorex
  • Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, benzoate
  • N-(2-Benzoyloxyethyl)norfenfluramine

Registry Numbers

CAS Registry Number

  • 23602-78-0

FDA UNII

  • 403FO0NQG3

Related Registry Number

  • 23642-66-2 (hydrochloride)

System Generated Number

  • 0023602780

Structure Descriptors

InChI

1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3

InChIKey

CJAVTWRYCDNHSM-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C(F)(F)F)C[C@@H](NCCOC(c1ccccc1)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 108mg/kg (108mg/kg)   "International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970.
mouse LD50 oral 2300mg/kg (2300mg/kg)   "International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.670 (none)   EST
Atmospheric OH Rate Constant 3.74E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.