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Substance Name: Diflumidone [INN:BAN]
RN: 22736-85-2
UNII: E96467495S
InChIKey: JLBDOSAQLCZTSX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-F2-N-O3-S

Molecular Weight

  • 311.307
 
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Names and Synonyms

Results Name

  • Diflumidone [INN:BAN]

Name of Substance

  • Diflumidone
  • Diflumidone [INN:BAN]

Synonyms

  • 3'-Benzoyl-1,1-difluoro-methanesulfonanilide
  • BRN 2151784
  • Diflumidona
  • Diflumidona [INN-Spanish]
  • Diflumidone
  • Diflumidonum
  • Diflumidonum [INN-Latin]
  • N-(3-Benzoylphenyl)-1,1-difluoromethanesulfonamide
  • R 807
  • R 807 (Pharmaceutical)
  • UNII-E96467495S

Systematic Names

  • Methanesulfonamide, N-(3-benzoylphenyl)-1,1-difluoro- (9CI)
  • Methanesulfonanilide, 3'-benzoyl-1,1-difluoro-

Registry Numbers

CAS Registry Number

  • 22736-85-2

FDA UNII

  • E96467495S

Related Registry Number

  • 22737-01-5 (hydrochloride salt)

System Generated Number

  • 0022736852

Structure Descriptors

InChI

1S/C14H11F2NO3S/c15-14(16)21(19,20)17-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,14,17H

InChIKey

JLBDOSAQLCZTSX-UHFFFAOYSA-N

Smiles

c1ccc(NS(=O)(=O)C(F)F)cc1C(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 750mg/kg (750mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 221, Pg. 132, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.86 (none)   EXP
Water Solubility 38.1 mg/L 25 EST
Vapor Pressure 1.46E-07 mm Hg 25 EST
Henry's Law Constant 1.66E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.99E-11 cm3/molecule-sec 25 EST

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