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Substance Name: 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride
RN: 52401-02-2
InChIKey: VKWVQTNRDJWKBL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N-O2.Cl-H

Molecular Weight

  • 305.803
 
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Names and Synonyms

Synonym

  • 2-(2-(Dimethylamino)ethyl)-2-phenyl-1,3-benzodioxole hydrochloride

Systematic Name

  • 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 52401-02-2

System Generated Number

  • 0052401022

Molecular Formulas

Molecular Formula

  • C17-H19-N-O2.Cl-H

Molecular Formula Fragments

  • C17-H19-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H19NO2.ClH/c1-18(2)13-12-17(14-8-4-3-5-9-14)19-15-10-6-7-11-16(15)20-17;/h3-11H,12-13H2,1-2H3;1H

InChIKey

VKWVQTNRDJWKBL-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(Oc2ccccc2O1)CC[NH+](C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 83mg/kg (83mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 413, 1977.
rat LD50 intravenous 23mg/kg (23mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 413, 1977.