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Substance Name: Ammonium, (2-hydroxyethyl)triethyl-, bromide, 3,3-diphenyl-3-hydroxypropionate
RN: 57343-51-8
InChIKey: OESCXTQBGMTOAB-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

Synonym

  • DPE-ethyl bromide

Systematic Name

  • Ammonium, (2-hydroxyethyl)triethyl-, bromide, 3,3-diphenyl-3-hydroxypropionate

Registry Numbers

CAS Registry Number

  • 57343-51-8

System Generated Number

  • 0057343518

Molecular Formulas

Molecular Formula

  • C23-H32-N-O3.Br

Molecular Formula Fragments

  • Br
  • C23-H32-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C23H32NO3.BrH/c1-4-24(5-2,6-3)17-18-27-22(25)19-23(26,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,26H,4-6,17-19H2,1-3H3;1H/q+1;/p-1

InChIKey

OESCXTQBGMTOAB-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12500ug/kg (12.5mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 95, Pg. 1022, 1975.