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Substance Name: Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxybutyl)cyclohexaneacetate
RN: 100170-93-2
InChIKey: XTXDMMRYKHSJHR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H38-N-O3.Br

Molecular Weight

  • 408.417
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100170-93-2

System Generated Number

  • 0100170932

Molecular Formulas

Molecular Formula

  • C19-H38-N-O3.Br

Molecular Formula Fragments

  • Br
  • C19-H38-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C19H38NO3.BrH/c1-5-11-17(21)18(16-12-9-8-10-13-16)19(22)23-15-14-20(4,6-2)7-3;/h16-18,21H,5-15H2,1-4H3;1H/q+1;/p-1

InChIKey

XTXDMMRYKHSJHR-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 19mg/kg (19mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 331, 1956.