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Substance Name: Fenbufen [USAN:INN:BAN:JAN]
RN: 36330-85-5
UNII: 9815R1WR9B
InChIKey: ZPAKPRAICRBAOD-UHFFFAOYSA-N

Molecular Formula

  • C16-H14-O3

Molecular Weight

  • 254.284
 

Classification Codes

  • 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
  • Peripheral Nervous System Agents
  • Reproductive Effect
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Fenbufen
  • Fenbufen [USAN:INN:BAN:JAN]

Synonyms

  • (1,1'-Biphenyl)-4-butanoic acid, gamma-oxo-
  • 3-(4-Biphenylylcarbonyl)propionic acid
  • 3-(4-Phenylbenzoyl)propionic acid
  • 3-10-00-03334 (Beilstein Handbook Reference)
  • 4-(4-Biphenylyl)-4-oxobutyric acid
  • beta,p-Phenylbenzoylpropionic acid
  • BRN 2378560
  • Bufemid
  • Butyric acid 4-(4-biphenyl)-4-oxo-
  • Cinopal
  • CL 82,204
  • CL 82204
  • Diphenyl-4-gamma-oxo-gamma-butyric acid
  • EINECS 252-979-0
  • Fenbufen
  • Fenbufene
  • Fenbufene [INN-French]
  • Fenbufenum
  • Fenbufenum [INN-Latin]
  • gamma-Oxo(1,1'-biphenyl)-4-butanoic acid
  • Lederfen
  • Napanol
  • Propionic acid, 3-(4-biphenylylcarbonyl)-
  • UNII-9815R1WR9B

Systematic Names

  • (1,1'-Biphenyl)-4-butanoic acid, gamma-oxo-
  • 3-(4-Biphenylcarbonyl)propionic acid
  • Fenbufen

Registry Numbers

CAS Registry Number

  • 36330-85-5

FDA UNII

  • 9815R1WR9B

System Generated Number

  • 0036330855

Structure Descriptors

InChI

1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)

InChIKey

ZPAKPRAICRBAOD-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)ccc(C(CCC(O)=O)=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 90mg/kg/1W-I (90mg/kg) SKIN AND APPENDAGES (SKIN): SWEATING: OTHER

LUNGS, THORAX, OR RESPIRATION: COUGH
Human Toxicology. Vol. 7, Pg. 35, 1988.
man TDLo oral 2314mg/kg/26W (2314mg/kg) BLOOD: APLASTIC ANEMIA British Journal of Rheumatology. Vol. 33, Pg. 389, 1994.
mouse LD50 intraperitoneal 482mg/kg (482mg/kg)   Beijing Yixueyuan Xuebao. Journal of Peking Medical College. Vol. 15, Pg. 132, 1983.
mouse LD50 oral 795mg/kg (795mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

BLOOD: HEMORRHAGE

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 721, 1980.
mouse LD50 subcutaneous 1189mg/kg (1189mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 884, 1979.
rat LD50 intraperitoneal 265mg/kg (265mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

BLOOD: HEMORRHAGE
Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 721, 1980.
rat LD50 oral 200mg/kg (200mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

BLOOD: HEMORRHAGE
Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 721, 1980.
rat LD50 subcutaneous 247mg/kg (247mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

BLOOD: HEMORRHAGE

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 721, 1980.
women TDLo oral 12mg/kg/1D-I (12mg/kg) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" British Medical Journal. Vol. 290, Pg. 822, 1985.
women TDLo oral 180mg/kg/10D- (180mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BRAIN AND COVERINGS: ENCEPHALITIS
British Journal of Clinical Practice. Vol. 48, Pg. 277, 1994.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 186 deg C   EXP
pKa Dissociation Constant 4.51 (none)   EXP
log P (octanol-water) 3.2 (none)   EXP
Water Solubility 2.21 mg/L 25 EXP
Vapor Pressure 8.14E-08 mm Hg 25 EST
Henry's Law Constant 7.44E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.06E-11 cm3/molecule-sec 25 EST

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