Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ibufenac [USAN:INN:BAN]
RN: 1553-60-2
UNII: 5V4WIX44VI
InChIKey: CYWFCPPBTWOZSF-UHFFFAOYSA-N

Note

  • Used in the treatment of rheumatism; also possesses antipyretic properties.

Molecular Formula

  • C12-H16-O2

Molecular Weight

  • 192.2564
 

Classification Codes

  • Analgesic
  • Anti-Inflammatory
  • Antirheumatic
  • Drug / Therapeutic Agent
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ibufenac
  • Ibufenac [USAN:INN:BAN]

Synonyms

  • (p-Isobutylphenyl)acetic acid
  • 4-(2-Methylpropyl)benzeneacetic acid
  • 4-Isobutylphenylacetic acid
  • BRN 2046683
  • Dytransin
  • EINECS 216-302-2
  • Ibufenac
  • Ibufenaco
  • Ibufenaco [INN-Spanish]
  • Ibufenacum
  • Ibufenacum [INN-Latin]
  • Ibunac
  • Isodilan
  • Kyselina p-isobutylfenyloctova
  • Kyselina p-isobutylfenyloctova [Czech]
  • Medirex
  • NSC 99976
  • p-Isobutyl-alpha-toluic acid
  • RD 11654
  • UNII-5V4WIX44VI

Systematic Names

  • Acetic acid, (p-isobutylphenyl)-
  • Benzeneacetic acid, 4-(2-methylpropyl)-
  • Ibufenac

Registry Numbers

CAS Registry Number

  • 1553-60-2

FDA UNII

  • 5V4WIX44VI

System Generated Number

  • 0001553602

Structure Descriptors

InChI

1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)

InChIKey

CYWFCPPBTWOZSF-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)CC(=O)O)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 670mg/kg (670mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 481, 1974.
mouse LD50 oral 1750mg/kg (1750mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

AUTONOMIC NERVOUS SYSTEM: GAGLION BLOCK
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 1642, 1967.
mouse LD50 subcutaneous 1130mg/kg (1130mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 22, 1968.
rabbit LD50 intraperitoneal 10mg/kg (10mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BRAIN AND COVERINGS: CHANGES IN SURFACE EEG
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 1641, 1967.
rat LD50 intraperitoneal 860mg/kg (860mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 22, 1968.
rat LD50 oral 2300mg/kg (2300mg/kg) AUTONOMIC NERVOUS SYSTEM: GAGLION BLOCK

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 1642, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 85-87 deg C   EXP
log P (octanol-water) 3.35 (none)   EXP
Water Solubility 164 mg/L 25 EST
Vapor Pressure 1.65E-04 mm Hg 25 EST
Henry's Law Constant 1.14E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.01E-11 cm3/molecule-sec 25 EST

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