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Substance Name: Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxycyclopentyl)cyclohexaneacetate
RN: 100210-92-2
InChIKey: SOYHSIJZNXLFTA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H38-N-O3.Br

Molecular Weight

  • 420.428
 
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Names and Synonyms

Synonym

  • Diethyl(2-hydroxyethyl)methylammonium bromide alpha-(1-hydroxycyclopentyl)cyclohexaneacetate

Systematic Name

  • Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxycyclopentyl)cyclohexaneacetate

Registry Numbers

CAS Registry Number

  • 100210-92-2

System Generated Number

  • 0100210922

Molecular Formulas

Molecular Formula

  • C20-H38-N-O3.Br

Molecular Formula Fragments

  • Br
  • C20-H38-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H38NO3.BrH/c1-4-21(3,5-2)15-16-24-19(22)18(17-11-7-6-8-12-17)20(23)13-9-10-14-20;/h17-18,23H,4-16H2,1-3H3;1H/q+1;/p-1

InChIKey

SOYHSIJZNXLFTA-UHFFFAOYSA-M

Smiles

C1([C@@H](C2CCCCC2)C(OCC[N+](CC)(CC)C)=O)(CCCC1)O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 16mg/kg (16mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 331, 1956.