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Substance Name: Ammonium, dimethyl(2-hydroxyethyl)nonyl-, bromide, benzilate
RN: 56927-40-3
InChIKey: CJXJWTVULARSCY-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H40-N-O3.Br

Molecular Weight

  • 506.521
 
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Names and Synonyms

Synonyms

  • Benzilsaeure-dimethyl-nonyl-ammonium-aethylester-bromide
  • Benzilsaeure-dimethyl-nonyl-ammonium-aethylester-bromide [German]
  • Dimethyl(2-hydroxyethyl)nonylammonium bromide benzilate

Systematic Name

  • Ammonium, dimethyl(2-hydroxyethyl)nonyl-, bromide, benzilate

Registry Numbers

CAS Registry Number

  • 56927-40-3

System Generated Number

  • 0056927403

Molecular Formulas

Molecular Formula

  • C27-H40-N-O3.Br

Molecular Formula Fragments

  • Br
  • C27-H40-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C27H40NO3.BrH/c1-4-5-6-7-8-9-16-21-28(2,3)22-23-31-26(29)27(30,24-17-12-10-13-18-24)25-19-14-11-15-20-25;/h10-15,17-20,30H,4-9,16,21-23H2,1-3H3;1H/q+1;/p-1

InChIKey

CJXJWTVULARSCY-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 780mg/kg (780mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 763, 1960.