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Substance Name: Ammonium, dimethylhexyl(2-hydroxyethyl)-, bromide, benzilate
RN: 55019-67-5
InChIKey: QQASUCNQTMPYCA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-N-O3.Br

Molecular Weight

  • 464.441
 
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Names and Synonyms

Synonyms

  • Benzisaeure-dimethyl-hexyl-ammonium-aethylester-bromide
  • Benzisaeure-dimethyl-hexyl-ammonium-aethylester-bromide [German]
  • Dimethylhexyl(2-hydroxyethyl)ammonium bromide benzilate

Systematic Name

  • Ammonium, dimethylhexyl(2-hydroxyethyl)-, bromide, benzilate

Registry Numbers

CAS Registry Number

  • 55019-67-5

System Generated Number

  • 0055019675

Molecular Formulas

Molecular Formula

  • C24-H34-N-O3.Br

Molecular Formula Fragments

  • Br
  • C24-H34-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C24H34NO3.BrH/c1-4-5-6-13-18-25(2,3)19-20-28-23(26)24(27,21-14-9-7-10-15-21)22-16-11-8-12-17-22;/h7-12,14-17,27H,4-6,13,18-20H2,1-3H3;1H/q+1;/p-1

InChIKey

QQASUCNQTMPYCA-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 460mg/kg (460mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 763, 1960.