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Substance Name: Ammonium, dibutyl(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)methyl-, iodide
RN: 10429-15-9
InChIKey: GIABAYFDQVEYAI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H38-N-O2.I

Molecular Weight

  • 511.48
 
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Names and Synonyms

Synonyms

  • 2-(3-(Dibutylamino)propoxy)benzhydrol methiodide
  • Benzhydrol, 2-(3-(dibutylamino)propoxy)-, methiodide
  • Dibutyl(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)methylammonium iodide

Systematic Name

  • Ammonium, dibutyl(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)methyl-, iodide

Registry Numbers

CAS Registry Number

  • 10429-15-9

System Generated Number

  • 0010429159

Molecular Formulas

Molecular Formula

  • C25-H38-N-O2.I

Molecular Formula Fragments

  • C25-H38-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C25H38NO2.HI/c1-4-6-18-26(3,19-7-5-2)20-13-21-28-24-17-12-11-16-23(24)25(27)22-14-9-8-10-15-22;/h8-12,14-17,25,27H,4-7,13,18-21H2,1-3H3;1H/q+1;/p-1

InChIKey

GIABAYFDQVEYAI-UHFFFAOYSA-M

Smiles

c1(c(cccc1)OCCC[N+](CCCC)(CCCC)C)[C@@H](c1ccccc1)O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.