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Substance Name: Itanoxone [INN]
RN: 58182-63-1
UNII: 1I364Q5595
InChIKey: HJWLWNLAIBFKDO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H13-Cl-O3

Molecular Weight

  • 300.74
 
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Names and Synonyms

Name of Substance

  • Itanoxone
  • Itanoxone [INN]

Synonyms

  • 2'-Chloro-alpha-methylene-gamma-oxo-(1,1'-biphenyl)-4-butanoic acid
  • 2-(p-(o-Chlorophenyl)phenacyl)acrylic acid
  • 2-Methylene-4-oxo-4-(4'-ortho-chlorophenylphenyl)butyric acid
  • Acide (chloro-2' biphenylyl-4)-4 methylene-2 oxo-4 butyrique
  • Acide (chloro-2' biphenylyl-4)-4 methylene-2 oxo-4 butyrique [French]
  • BRN 2138480
  • F 1379
  • Itanoxone
  • Itanoxono
  • Itanoxono [INN-Spanish]
  • Itanoxonum
  • Itanoxonum [INN-Latin]
  • UNII-1I364Q5595

Systematic Names

  • (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-
  • 2'-Chloro-alpha-methylene-gamma-oxo-(1,1'-biphenyl)-4-butanoic acid
  • 2-(p-(o-Chlorophenyl)phenacyl)acrylic acid

Registry Numbers

CAS Registry Number

  • 58182-63-1

FDA UNII

  • 1I364Q5595

System Generated Number

  • 0058182631

Structure Descriptors

InChI

1S/C17H13ClO3/c1-11(17(20)21)10-16(19)13-8-6-12(7-9-13)14-4-2-3-5-15(14)18/h2-9H,1,10H2,(H,20,21)

InChIKey

HJWLWNLAIBFKDO-UHFFFAOYSA-N

Smiles

c1(c2ccc(C(CC(C(O)=O)=C)=O)cc2)c(cccc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 45, 1987.
rat LD50 oral 2400mg/kg (2400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 45, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.32 (none)   EXP
Water Solubility 44.1 mg/L 25 EST
Vapor Pressure 1.08E-08 mm Hg 25 EST
Henry's Law Constant 3.43E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.25E-11 cm3/molecule-sec 25 EST

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