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Substance Name: 1,3-Benzodioxole, 2-(2-(benzylamino)ethyl)-2-methyl-, hydrochloride
RN: 52400-76-7
InChIKey: AVEMQRFZNLPGSY-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-(Benzylamino)ethyl)-2-methyl-1,3-benzodioxole hydrochloride

Systematic Name

  • 1,3-Benzodioxole, 2-(2-(benzylamino)ethyl)-2-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 52400-76-7

System Generated Number

  • 0052400767

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/c1-17(19-15-9-5-6-10-16(15)20-17)11-12-18-13-14-7-3-2-4-8-14;/h2-10,18H,11-13H2,1H3;1H

InChIKey

AVEMQRFZNLPGSY-UHFFFAOYSA-N

Smiles

C1(Oc2ccccc2O1)(CC[NH2+]Cc1ccccc1)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 413, 1977.
rat LD50 intravenous 15mg/kg (15mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 413, 1977.