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Substance Name: 1,3-Benzodioxole, 2-(2-(ethylamino)ethyl)-2-methyl-, hydrochloride
RN: 52400-55-2
InChIKey: HSGZSWGTFGUNGV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O2.Cl-H

Molecular Weight

  • 243.732
 
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Names and Synonyms

Synonyms

  • 2-(2-(Ethylamino)ethyl)-2-methyl-1,3-benzodioxole hydrochloride
  • NSC 304119

Systematic Names

  • 1,3-Benzodioxole, 2-(2-(ethylamino)ethyl)-2-methyl-, hydrochloride
  • 1,3-Benzodioxole-2-ethanamine, N-ethyl-2-methyl-, hydrochloride (9CI)

Registry Numbers

CAS Registry Number

  • 52400-55-2

System Generated Number

  • 0052400552

Molecular Formulas

Molecular Formula

  • C12-H17-N-O2.Cl-H

Molecular Formula Fragments

  • C12-H17-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17NO2.ClH/c1-3-13-9-8-12(2)14-10-6-4-5-7-11(10)15-12;/h4-7,13H,3,8-9H2,1-2H3;1H

InChIKey

HSGZSWGTFGUNGV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 413, 1977.
rat LD50 intravenous 40mg/kg (40mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 413, 1977.