Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ammonium, diethylmethyl(2-(2-(2-octyloxybenzamido)benzoyloxy)ethyl)-, bromide
RN: 51444-57-6
InChIKey: KWHIMJIUWUKJPB-UHFFFAOYSA-N

Molecular Formula

  • C29-H43-N2-O4.Br

Molecular Weight

  • 563.5727
 
* 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

Synonym

  • Diethylmethyl(2-(2-(2-octyloxybenzamido)benzoyloxy)ethyl)ammonium bromide

Systematic Name

  • Ammonium, diethylmethyl(2-(2-(2-octyloxybenzamido)benzoyloxy)ethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 51444-57-6

System Generated Number

  • 0051444576

Molecular Formulas

Molecular Formula

  • C29-H43-N2-O4.Br

Molecular Formula Fragments

  • Br
  • C29-H43-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H42N2O4.BrH/c1-5-8-9-10-11-16-22-34-27-20-15-13-18-25(27)28(32)30-26-19-14-12-17-24(26)29(33)35-23-21-31(4,6-2)7-3;/h12-15,17-20H,5-11,16,21-23H2,1-4H3;1H

InChIKey

KWHIMJIUWUKJPB-UHFFFAOYSA-N

Smiles

CCCCCCCCOc1ccccc1C(=O)Nc2ccccc2C(=O)OCC[N+](C)(CC)CC.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 45mg/kg (45mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1063, 1973.