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Substance Name: Ammonium, dimethyl(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)phenethyl-, bromide
RN: 26058-51-5
InChIKey: CUHZJLGLMGNJRB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N2-O2-S.Br

Molecular Weight

  • 503.502
 
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Names and Synonyms

Synonyms

  • Ammonium, dimethyl(2-(N-methyl-alpha-2-thienylmandelamido)ethyl)phenethyl-, bromide
  • FC 111

Systematic Name

  • Ammonium, dimethyl(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)phenethyl-, bromide

Registry Numbers

CAS Registry Number

  • 26058-51-5

System Generated Number

  • 0026058515

Molecular Formulas

Molecular Formula

  • C25-H31-N2-O2-S.Br

Molecular Formula Fragments

  • Br
  • C25-H31-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31N2O2S.BrH/c1-26(17-19-27(2,3)18-16-21-11-6-4-7-12-21)24(28)25(29,23-15-10-20-30-23)22-13-8-5-9-14-22;/h4-15,20,29H,16-19H2,1-3H3;1H/q+1;/p-1

InChIKey

CUHZJLGLMGNJRB-UHFFFAOYSA-M

Smiles

c1([C@@](c2ccccc2)(C(N(CC[N+](CCc2ccccc2)(C)C)C)=O)O)cccs1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 14, 1972.
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   French Medicament Patent Document. Vol. #7291M,