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Substance Name: Benfluorex hydrochloride
RN: 23642-66-2
UNII: X7O165XZ00
InChIKey: NLOALSPYZIIXEO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-F3-N-O2.Cl-H

Molecular Weight

  • 387.827
 
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Names and Synonyms

Results Name

  • Benfluorex hydrochloride

Name of Substance

  • Benfluorex

Synonyms

  • (1)-2-((1-Methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl benzoate hydrochloride
  • 2-((alpha-Methyl-m-(trifluoromethyl)phenethyl)amino)ethanol benzoate (ester)
  • 2-(-Methyl-3-(trifluoromethyl)phenethylamino)ethyl benzoate hydrochloride
  • 2-(alpha-Methyl-3-(trifluoromethyl)phenylethylamino)ethyl benzoat
  • Balans
  • Benfluorex HCl
  • Benfluorex hydrochloride
  • EINECS 245-020-2
  • EINECS 245-801-8
  • JP 992
  • Lipophoral
  • Mediator
  • Mediaxal
  • UNII-X7O165XZ00

Systematic Names

  • 2-((1-Methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl benzoate hydrochloride
  • Ethanol, 2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, benzoate (ester), hydrochloride
  • Ethanol, 2-((alpha-methyl-m-(trifluoromethyl)phenethyl)amino)-, benzoate (ester), HCl

Registry Numbers

CAS Registry Number

  • 23642-66-2

FDA UNII

  • X7O165XZ00

Other Registry Number

  • 22471-86-9

Related Registry Number

  • 23602-78-0 (Parent)

System Generated Number

  • 0023642662

Molecular Formulas

Molecular Formula

  • C19-H20-F3-N-O2.Cl-H

Molecular Formula Fragments

  • C19-H20-F3-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H20F3NO2.ClH/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;1H

InChIKey

NLOALSPYZIIXEO-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(=O)OCCN[C@@H](Cc1cc(ccc1)C(F)(F)F)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 108mg/kg (108mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 195, Pg. 252, 1972.