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Substance Name: Ammonium, diethyl(beta-hydroxyphenethyl)methyl-, iodide, benzoate (ester)
ID: BP76580000
InChIKey: SMVUSHDMBDXMJS-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N-O2.I

Molecular Weight

  • 439.3304
 
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Names and Synonyms

Synonym

  • Diethyl(beta-hydroxyphenethyl)methylammonium iodide benzoate (ester)

Systematic Name

  • Ammonium, diethyl(beta-hydroxyphenethyl)methyl-, iodide, benzoate (ester)

Registry Numbers

ID Number

  • NIOSH/BP7658000

System Generated Number

  • BP76580000

Molecular Formulas

Molecular Formula

  • C20-H26-N-O2.I

Molecular Formula Fragments

  • C20-H26-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C20H26NO2.HI/c1-4-21(3,5-2)16-19(17-12-8-6-9-13-17)23-20(22)18-14-10-7-11-15-18;/h6-15,19H,4-5,16H2,1-3H3;1H/q+1;/p-1

InChIKey

SMVUSHDMBDXMJS-UHFFFAOYSA-M

Smiles

[I-].CC[N+](C)(CC)CC(OC(=O)c1ccccc1)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 140mg/kg (140mg/kg)   Therapie. Vol. 16, Pg. 613, 1961.