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Substance Name: Ammonium, decyldimethyl(2-hydroxyethyl)-, bromide, benzilate
RN: 55019-68-6
InChIKey: CFULZJWWLMNOED-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H42-N-O3.Br

Molecular Weight

  • 520.548
 
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Names and Synonyms

Synonyms

  • Benzilsaeure-dimethyl-decyl-ammonium-aethylester-bromide
  • Benzilsaeure-dimethyl-decyl-ammonium-aethylester-bromide [German]
  • Decyl-dimethyl(2-hydroxyethyl)ammonium bromide benzilate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 55019-68-6

System Generated Number

  • 0055019686

Molecular Formulas

Molecular Formula

  • C28-H42-N-O3.Br

Molecular Formula Fragments

  • Br
  • C28-H42-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H42NO3.BrH/c1-4-5-6-7-8-9-10-17-22-29(2,3)23-24-32-27(30)28(31,25-18-13-11-14-19-25)26-20-15-12-16-21-26;/h11-16,18-21,31H,4-10,17,22-24H2,1-3H3;1H/q+1;/p-1

InChIKey

CFULZJWWLMNOED-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 870mg/kg (870mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 763, 1960.