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Substance Name: Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-cyclohexyl-1- hydroxycyclohexaneacetate
RN: 100916-78-7
InChIKey: WADCYOUWAGZWFX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H40-N-O3.Br

Molecular Weight

  • 434.455
 
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Names and Synonyms

Synonym

  • Diethyl(2-hydroxyethyl)methylammonium bromide alpha-cyclohexyl-1-hydroxycyclohexaneacetate

Systematic Name

  • Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-cyclohexyl-1- hydroxycyclohexaneacetate

Registry Numbers

CAS Registry Number

  • 100916-78-7

System Generated Number

  • 0100916787

Molecular Formulas

Molecular Formula

  • C21-H40-N-O3.Br

Molecular Formula Fragments

  • Br
  • C21-H40-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H40NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)19(18-12-8-6-9-13-18)21(24)14-10-7-11-15-21;/h18-19,24H,4-17H2,1-3H3;1H/q+1;/p-1

InChIKey

WADCYOUWAGZWFX-UHFFFAOYSA-M

Smiles

C1([C@@H](C2CCCCC2)C(OCC[N+](CC)(CC)C)=O)(CCCCC1)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.