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Substance Name: Benoxaprofen [USAN:INN:BAN]
RN: 51234-28-7
UNII: 17SZX404IM
InChIKey: MITFXPHMIHQXPI-UHFFFAOYSA-N

Molecular Formula

  • C16-H12-Cl-N-O3

Molecular Weight

  • 301.728
 

Classification Codes

  • Analgesic
  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Dermatologic Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Human Data
  • Lipoxygenase Inhibitors
  • Mutation Data
  • Peripheral Nervous System Agents
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Benoxaprofen
  • Benoxaprofen [USAN:INN:BAN]

Synonyms

  • (+-)-2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid
  • (+-)-2-(p-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid
  • (+-)-Benoxaprofen
  • (1)-2-(4-Chlorophenyl)benzoxazole-5-propionic acid
  • 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid
  • Benoxaprofen
  • Benoxaprofene
  • Benoxaprofene [INN-French]
  • Benoxaprofeno
  • Benoxaprofeno [INN-Spanish]
  • Benoxaprofenum
  • Benoxaprofenum [INN-Latin]
  • BRN 1085080
  • Compound 90459
  • Coxigon
  • dl-Benoxaprofen
  • EINECS 257-069-7
  • EINECS 266-692-3
  • Inflamid
  • Lilly 90459
  • LRCL 3794
  • NSC 299582
  • Opren
  • Oraflex
  • UNII-17SZX404IM
  • Uniprofen

Systematic Names

  • 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid
  • 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl, (+-)-
  • Benoxaprofen

Registry Numbers

CAS Registry Number

  • 51234-28-7

FDA UNII

  • 17SZX404IM

Other Registry Number

  • 67434-14-4

Related Registry Numbers

  • 51234-86-7 (mono-hydrochloride salt)
  • 70062-36-1 (ammonium salt)

System Generated Number

  • 0051234287

Structure Descriptors

InChI

1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)

InChIKey

MITFXPHMIHQXPI-UHFFFAOYSA-N

Smiles

c12c(oc(n1)c1ccc(Cl)cc1)ccc(c2)[C@@H](C(O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 780mg/kg/13W- (780mg/kg) ENDOCRINE: GYNECOMASTIA British Medical Journal. Vol. 284, Pg. 1365, 1982.
mouse LD50 intraperitoneal 398mg/kg (398mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 4445, 1981.
mouse LD50 oral 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 53, 1975.
mouse LD50 subcutaneous 482mg/kg (482mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 4445, 1981.
rat LD50 intraperitoneal 129mg/kg (129mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 4445, 1981.
rat LD50 oral 118mg/kg (118mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA

BLOOD: APLASTIC ANEMIA
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 4445, 1981.
rat LD50 subcutaneous 121mg/kg (121mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 4445, 1981.
women LDLo oral 780mg/kg/65D- (780mg/kg) LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED" Lancet. Vol. 1, Pg. 959, 1982.
women TDLo oral 168mg/kg/2W-I (168mg/kg) BLOOD: EOSINOPHILIA

KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
Nephron. Vol. 35, Pg. 279, 1983.
women TDLo oral 552mg/kg/46D- (552mg/kg) LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED" Lancet. Vol. 1, Pg. 959, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.23 (none)   EXP
Water Solubility 52 mg/L 25 EST
Vapor Pressure 5.26E-09 mm Hg 25 EST
Henry's Law Constant 4.26E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.68E-11 cm3/molecule-sec 25 EST

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