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Substance Name: Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-cyclohexyl-1- hydroxycyclooctaneacetate
RN: 101317-77-5
InChIKey: MNSXOSMYQISKNS-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H44-N-O3.Br

Molecular Weight

  • 462.509
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101317-77-5

System Generated Number

  • 0101317775

Molecular Formulas

Molecular Formula

  • C23-H44-N-O3.Br

Molecular Formula Fragments

  • Br
  • C23-H44-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C23H44NO3.BrH/c1-4-24(3,5-2)18-19-27-22(25)21(20-14-10-9-11-15-20)23(26)16-12-7-6-8-13-17-23;/h20-21,26H,4-19H2,1-3H3;1H/q+1;/p-1

InChIKey

MNSXOSMYQISKNS-UHFFFAOYSA-M

Smiles

C1([C@@H](C2CCCCC2)C(OCC[N+](CC)(CC)C)=O)(CCCCCCC1)O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8mg/kg (8mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 331, 1956.