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Substance Name: Ammonium, dimethylheptyl(2-hydroxyethyl)-, bromide, benzilate
RN: 56927-42-5
InChIKey: LJSAYCZHIMBNKA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H36-N-O3.Br

Molecular Weight

  • 478.467
 
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Names and Synonyms

Synonyms

  • Benzilsaeure-dimethyl-heptyl-ammonium-aethylester-bromide
  • Benzilsaeure-dimethyl-heptyl-ammonium-aethylester-bromide [German]
  • Dimethylheptyl(2-hydroxyethyl)ammonium bromide benzilate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56927-42-5

System Generated Number

  • 0056927425

Molecular Formulas

Molecular Formula

  • C25-H36-N-O3.Br

Molecular Formula Fragments

  • Br
  • C25-H36-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H36NO3.BrH/c1-4-5-6-7-14-19-26(2,3)20-21-29-24(27)25(28,22-15-10-8-11-16-22)23-17-12-9-13-18-23;/h8-13,15-18,28H,4-7,14,19-21H2,1-3H3;1H/q+1;/p-1

InChIKey

LJSAYCZHIMBNKA-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 410mg/kg (410mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 763, 1960.