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Substance Name: 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate
RN: 13002-45-4
InChIKey: DEXNQMMOWZRSDQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H34-N-O2.C7-H7-O3-S

Molecular Weight

  • 527.722
 
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Names and Synonyms

Results Name

  • 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate

Synonyms

  • 2-(3-(Dipropylamino)propoxy)benzhydrol methyl toluenesulfonate
  • Benzhydrol, 2-(3-(dipropylamino)propoxy)-, methyl toluenesulfonate
  • Dipropyl(3-(2-(alpha-hydroxybenzyl)phenoxy)propyl)methylammonium toluenesulfonate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 13002-45-4

System Generated Number

  • 0013002454

Molecular Formulas

Molecular Formula

  • C23-H34-N-O2.C7-H7-O3-S

Molecular Formula Fragments

  • C23-H34-N-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C23H34NO2.C7H8O3S/c1-4-16-24(3,17-5-2)18-11-19-26-22-15-10-9-14-21(22)23(25)20-12-7-6-8-13-20;1-6-2-4-7(5-3-6)11(8,9)10/h6-10,12-15,23,25H,4-5,11,16-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

DEXNQMMOWZRSDQ-UHFFFAOYSA-M

Smiles

CCC[N+](C)(CCC)CCCOc1ccccc1C(O)c2ccccc2.Cc3ccc(cc3)S(=O)(=O)[O-]

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.