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Substance Name: Bucloxic acid [INN:DCF]
RN: 32808-51-8
UNII: KV89R7ELF8
InChIKey: IJTPQQVCKPZIMV-UHFFFAOYSA-N

Note

  • Water insoluble anti-inflammatory agent with analgesic & antipyretic properties.

Molecular Formula

  • C16-H19-Cl-O3

Molecular Weight

  • 294.776
 

Classification Codes

  • Drug / Therapeutic Agent
  • Neuromuscular Agents
  • Peripheral Nervous System Agents
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Bucloxic acid
  • Bucloxic acid [INN:DCF]

Synonyms

  • 3-(3-Chloro-4-cyclohexylbenzoyl)propionic acid
  • 3-Chloro-4-cyclohexyl-alpha-oxobenzenebutanoic acid
  • 4-(3-Chloro-4-cyclohexylphenyl)-4-oxo-butyric acid
  • 4-(4-Cyclohexyl-3-chlorophenyl)-4-oxobutyric acid
  • 804 CB
  • Acide bucloxique
  • Acide bucloxique [INN-French]
  • Acido bucloxico
  • Acido bucloxico [INN-Spanish]
  • Acidum bucloxicum
  • Acidum bucloxicum [INN-Latin]
  • Benzenebutanoic acid, 3-chloro-4-cyclohexyl-alpha-oxo-
  • BRN 2949306
  • Bucloxic acid
  • Bucloxinsaeure
  • Bucloxinsaeure [German]
  • Bucloxonic acid
  • CB 804
  • EINECS 251-231-0
  • Esfar
  • l'Acide bucloxique
  • l'Acide bucloxique [French]
  • UNII-KV89R7ELF8

Systematic Names

  • 3-(3-Chloro-4-cyclohexylbenzoyl)propionic acid
  • Bucloxic acid
  • Propionic acid, 3-(3-chloro-4-cyclohexylbenzoyl)-

Registry Numbers

CAS Registry Number

  • 32808-51-8

FDA UNII

  • KV89R7ELF8

Related Registry Numbers

  • 32808-52-9 (hydrochloride-salt)
  • 32808-53-0 (calcium salt)

System Generated Number

  • 0032808518

Structure Descriptors

InChI

1S/C16H19ClO3/c17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)

InChIKey

IJTPQQVCKPZIMV-UHFFFAOYSA-N

Smiles

C1(c2c(Cl)cc(C(=O)CCC(=O)O)cc2)CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral > 800mg/kg (800mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1398, 1974.
mouse LD50 intraperitoneal 1100mg/kg (1100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1364, 1974.
mouse LD50 oral 852mg/kg (852mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1398, 1974.
rat LD50 intraperitoneal 195mg/kg (195mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1398, 1974.
rat LD50 oral 120mg/kg (120mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1364, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 163 deg C   EXP
log P (octanol-water) 4.880 (none)   EST
Atmospheric OH Rate Constant 1.53E-11 cm3/molecule-sec 25 EST

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