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Substance Name: Diflunisal [USAN:USP:INN:BAN:JAN]
RN: 22494-42-4
UNII: 7C546U4DEN
InChIKey: HUPFGZXOMWLGNK-UHFFFAOYSA-N

Note

  • A salicylate derivative and anti-inflammatory analgesic with actions and side effects similar to those of ASPIRIN.

Molecular Formula

  • C13-H8-F2-O3

Molecular Weight

  • 250.1992
 

Classification Codes

  • Analgesic
  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Cyclooxygenase Inhibitors
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Human Data
  • Mutation Data
  • Peripheral Nervous System Agents
  • Reproductive Effect
  • Sensory System Agents

Names and Synonyms

Name of Substance

  • Diflunisal
  • Diflunisal [USAN:USP:INN:BAN:JAN]

MeSH Heading

  • Diflunisal

Synonyms

  • (1,1'-Biphenyl)-3-carboxylic acid, 2',4'-difluoro-4-hydroxy-
  • 2',4'-Difluoro-4-hydroxy-(1,1'-biphenyl)-3-carboxylic acid
  • 2',4'-Difluoro-4-hydroxy-3-biphenylcarboxylic acid
  • 2-(Hydroxy)-5-(2,4-difluorophenyl)benzoic acid
  • 5-(2,4-Difluorophenyl)salicylic acid
  • Adomal
  • Algobid
  • BRN 2654431
  • Citidol
  • Diflunisal
  • Diflunisalum
  • Diflunisalum [INN-Latin]
  • Dolobid
  • Dolobis
  • EINECS 245-034-9
  • Flovacil
  • Fluniget
  • Fluodonil
  • Flustar
  • MK 647
  • Noaldol
  • Reuflos
  • UNII-7C546U4DEN
  • Unisal

Systematic Names

  • (1,1'-Biphenyl)-3-carboxylic acid, 2',4'-difluoro-4-hydroxy-
  • 3-Biphenylcarboxylic acid, 2',4'-difluoro-4-hydroxy-
  • Diflunisal

Superlist Name

  • Diflunisal

Registry Numbers

CAS Registry Number

  • 22494-42-4

FDA UNII

  • 7C546U4DEN

System Generated Number

  • 0022494424

Structure Descriptors

InChI

1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)

InChIKey

HUPFGZXOMWLGNK-UHFFFAOYSA-N

Smiles

c1(c2cc(c(O)cc2)C(O)=O)c(cc(F)cc1)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 71mg/kg/5D-I (71mg/kg) LIVER: "JAUNDICE, CHOLESTATIC"

BEHAVIORAL: TOLERANCE
British Medical Journal. Vol. 2, Pg. 736, 1978.
man TDLo oral 429mg/kg/17W- (429mg/kg)   Australian and New Zealand Journal of Medicine. Vol. 16, Pg. 811, 1986.
man TDLo oral 429mg/kg/17W- (429mg/kg) BLOOD: AGRANULOCYTOSIS Australian and New Zealand Journal of Medicine. Vol. 16, Pg. 811, 1986.
mouse LD50 intraperitoneal 124mg/kg (124mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
mouse LD50 oral 439mg/kg (439mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA

BEHAVIORAL: TREMOR
British Journal of Clinical Pharmacology. Vol. 4, Pg. 19S, 1977.
mouse LD50 subcutaneous 212mg/kg (212mg/kg)   Drugs in Japan Vol. -, Pg. 555, 1995.
rabbit LD50 oral 603mg/kg (603mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
British Journal of Clinical Pharmacology. Vol. 4, Pg. 19S, 1977.
rat LD50 intraperitoneal 159mg/kg (159mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
rat LD50 oral 392mg/kg (392mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
rat LD50 subcutaneous 185mg/kg (185mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 210-221 deg C   EXP
log P (octanol-water) 4.44 (none)   EXP
Water Solubility 14.5 mg/L 25 EST
Vapor Pressure 8.92E-08 mm Hg 25 EST
Henry's Law Constant 1.49E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.05E-12 cm3/molecule-sec 25 EST

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