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Substance Name: Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate
RN: 109513-52-2
InChIKey: JLPLYWKGNATVMB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-N-O3.Br

Molecular Weight

  • 374.316
 
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Names and Synonyms

Synonym

  • Diethyl(2-hydroxyethyl)methylammonium bromide 3-hydroxy-2-phenylbutyrate

Systematic Name

  • Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate

Registry Numbers

CAS Registry Number

  • 109513-52-2

System Generated Number

  • 0109513522

Molecular Formulas

Molecular Formula

  • C17-H28-N-O3.Br

Molecular Formula Fragments

  • Br
  • C17-H28-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C17H28NO3.BrH/c1-4-18(3,5-2)12-14-21-17(20)16(11-13-19)15-9-7-6-8-10-15;/h6-10,16,19H,4-5,11-14H2,1-3H3;1H/q+1;/p-1

InChIKey

JLPLYWKGNATVMB-UHFFFAOYSA-M

Smiles

c1([C@@H](C(OCC[N+](CC)(CC)C)=O)CCO)ccccc1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 21mg/kg (21mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 331, 1956.