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Substance Name: Ammonium, dimethyl(2-hydroxyethyl)pentyl-, bromide, benzilate
RN: 56927-39-0
InChIKey: FOPWIKCTANOJML-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-N-O3.Br

Molecular Weight

  • 450.414
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56927-39-0

System Generated Number

  • 0056927390

Molecular Formulas

Molecular Formula

  • C23-H32-N-O3.Br

Molecular Formula Fragments

  • Br
  • C23-H32-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C23H32NO3.BrH/c1-4-5-12-17-24(2,3)18-19-27-22(25)23(26,20-13-8-6-9-14-20)21-15-10-7-11-16-21;/h6-11,13-16,26H,4-5,12,17-19H2,1-3H3;1H/q+1;/p-1

InChIKey

FOPWIKCTANOJML-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 230mg/kg (230mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 763, 1960.