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Substance Name: Acecarbromal [INN]
RN: 77-66-7
UNII: E47C56IGOY
InChIKey: SAZUGELZHZOXHB-UHFFFAOYSA-N

Classification Codes

  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Human Data
  • Hypnotics and Sedatives

Molecular Formula

  • C9-H15-Br-N2-O3

Molecular Weight

  • 279.133
 
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Names and Synonyms

Name of Substance

  • Acecarbromal
  • Acecarbromal [INN]

Synonyms

  • 1-Acetyl-3-(2-bromo-2-ethylbutyryl)urea
  • 1-Acetyl-3-(alpha-bromo-alpha-ethylbutyryl)urea
  • 4-03-00-00117 (Beilstein Handbook Reference)
  • Abasin
  • Absin
  • Acecarbromal
  • Acecarbromalum
  • Acecarbromalum [INN-Latin]
  • Acetcarbromal
  • Acetcarbromalum
  • Acetkarbromal
  • Acetyl adalin
  • Acetylbromodiethylacetylcarbamide
  • Acetylcarbromal
  • Adityl
  • BRN 1791982
  • Carbased
  • Darolon
  • EINECS 201-047-1
  • Ibatran
  • N-((Acetylamino)carbonyl)-2-bromo-2-ethylbutanamide
  • N-Acetyl-N'-alpha-bromo-alpha-ethylbutyrylcarbamide
  • N-Acetyl-N-bromodiethylacetylcarbamide
  • N-Acetyl-N-bromodiethylacetylurea
  • Paxarel
  • Sedamyl
  • Sedmynol
  • Sedtran
  • UNII-E47C56IGOY

Systematic Names

  • 1-Acetyl-3-(2-bromo-2-ethylbutyryl)urea
  • 1-Acetyl-3-(alpha-bromo-alpha-ethylbutyryl)urea
  • Acecarbromal
  • Butanamide, N-((acetylamino)carbonyl)-2-bromo-2-ethyl-
  • Urea, 1-acetyl-3-(2-bromo-2-ethylbutyryl)-

Registry Numbers

CAS Registry Number

  • 77-66-7

FDA UNII

  • E47C56IGOY

System Generated Number

  • 0000077667

Structure Descriptors

InChI

InChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15)

InChIKey

SAZUGELZHZOXHB-UHFFFAOYSA-N

Smiles

CCC(Br)(CC)C(=O)NC(=O)NC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 7mg/kg (7mg/kg) BEHAVIORAL: TOXIC PSYCHOSIS "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 423, 1972.
mouse LD50 oral 1600mg/kg (1600mg/kg)   Compilation of LD50 Values of New Drugs.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 109 deg C   EXP
log P (octanol-water) 1.880 (none)   EST
Atmospheric OH Rate Constant 4.73E-12 cm3/molecule-sec 25 EST

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