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Substance Name: Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate
RN: 57876-22-9
InChIKey: TZSOXWMYOZPGBX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N-O3.Br

Molecular Weight

  • 422.36
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57876-22-9

System Generated Number

  • 0057876229

Molecular Formulas

Molecular Formula

  • C21-H28-N-O3.Br

Molecular Formula Fragments

  • Br
  • C21-H28-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28NO3.BrH/c1-4-15-22(2,3)16-17-25-20(23)21(24,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,24H,4,15-17H2,1-3H3;1H/q+1;/p-1

InChIKey

TZSOXWMYOZPGBX-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 125mg/kg (125mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 763, 1960.