Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ambutonium bromide [BAN]
RN: 115-51-5
UNII: 9J8YA3ZT14
InChIKey: VTAGVKVPFBOVRM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N2-O.Br

Molecular Weight

  • 391.35
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ambutonium bromide
  • Ambutonium bromide [BAN]

Synonyms

  • (3-Carbamoyl-3,3-diphenylpropyl)dimethylethylammonium bromide
  • (3-Carbamoyl-3,3-diphenylpropyl)ethyldimethylammonium bromide
  • 3-(Carbamoyl-3,3-diphenylpropyl)ethyldimethylammonium bromide
  • 4-Dimethylamino-2,2-diphenylbutyramide ethyl bromide
  • Aludrox SA
  • Ambutonium bromide
  • BL 700 B
  • EINECS 204-093-0
  • gamma-(Aminocarbonyl)-N-ethyl-N,N-dimethyl-gamma-phenylbenzenepropanaminium bromide
  • N-Ethyl-N,N-dimethyl-(3,3-diphenyl-3-carbamoylpropyl)ammonium bromid
  • R 100
  • UNII-9J8YA3ZT14

Systematic Names

  • 3-Carbamoyl-3,3-diphenylpropyl(ethyl)dimethylammonium bromide
  • Ammonium, (3-carbamoyl-3,3-diphenylpropyl)dimethylethyl-, bromide
  • Benzenepropanaminium, gamma-(aminocarbonyl)-N-ethyl-N,N-dimethyl-gamma-phenyl-, bromide

Registry Numbers

CAS Registry Number

  • 115-51-5

FDA UNII

  • 9J8YA3ZT14

System Generated Number

  • 0000115515

Molecular Formulas

Molecular Formula

  • C20-H27-N2-O.Br

Molecular Formula Fragments

  • Br
  • C20-H27-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2O.BrH/c1-4-22(2,3)16-15-20(19(21)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,4,15-16H2,1-3H3,(H-,21,23);1H

InChIKey

VTAGVKVPFBOVRM-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(CC[N+](CC)(C)C)C(N)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 24302ug/kg (24.302mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 103, Pg. 100, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 228 dec deg C   EXP
log P (octanol-water) -0.150 (none)   EST
Atmospheric OH Rate Constant 3.71E-11 cm3/molecule-sec 25 EST

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