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Substance Name: Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate
RN: 13002-43-2
InChIKey: OCCWZDXGPMAWFI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H26-N-O2.C7-H7-O3-S

Molecular Weight

  • 471.615
 
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Names and Synonyms

Synonyms

  • (3-(2-(alpha-Hydroxybenzyl)phenoxy)propyl)trimethylammonium toluene sulfonate
  • 2-(3-(Dimethylamino)propoxy)benzhydrol methyl toluenesulfonate
  • Benzhydrol, 2-(3-(dimethylamino)propoxy)-, methyl toluenesulfonate

Systematic Name

  • Ammonium, (3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate

Registry Numbers

CAS Registry Number

  • 13002-43-2

System Generated Number

  • 0013002432

Molecular Formulas

Molecular Formula

  • C19-H26-N-O2.C7-H7-O3-S

Molecular Formula Fragments

  • C19-H26-N-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C19H26NO2.C7H8O3S/c1-20(2,3)14-9-15-22-18-13-8-7-12-17(18)19(21)16-10-5-4-6-11-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,10-13,19,21H,9,14-15H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

OCCWZDXGPMAWFI-UHFFFAOYSA-M

Smiles

c1(c(cccc1)OCCC[N+](C)(C)C)[C@@H](c1ccccc1)O.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.