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Substance Name: Ammonium, diethylmethyl(2-(4-(4-octyloxybenzamido)benzoyloxy)ethyl)-, bromide
RN: 51476-03-0
InChIKey: GYPQRCRWHJRTIS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H43-N2-O4.Br

Molecular Weight

  • 563.5727
 
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Names and Synonyms

Synonym

  • Diethyl(2-hydroxyethyl)methylammonium bromide p-(p-(octyloxy)benzamido)benzoate (ester)

Systematic Name

  • Ammonium, diethylmethyl(2-(4-(4-octyloxybenzamido)benzoyloxy)ethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 51476-03-0

System Generated Number

  • 0051476030

Molecular Formulas

Molecular Formula

  • C29-H43-N2-O4.Br

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C29H42N2O4.BrH/c1-5-8-9-10-11-12-22-34-27-19-15-24(16-20-27)28(32)30-26-17-13-25(14-18-26)29(33)35-23-21-31(4,6-2)7-3;/h13-20H,5-12,21-23H2,1-4H3;1H

InChIKey

GYPQRCRWHJRTIS-UHFFFAOYSA-N

Smiles

CCCCCCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1063, 1973.