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Substance Name: Benzenemethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,N-dimethyl-, hydrochloride
RN: 127905-81-1
InChIKey: XQLYIWQCQGHYTQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O2-S.Cl-H

Molecular Weight

  • 339.8848
 
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Names and Synonyms

Synonym

  • N,N-Dimethyl-2-(3,4-dimethoxyphenylthio)benzylamine

Systematic Name

  • Benzenemethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,N-dimethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 127905-81-1

System Generated Number

  • 0127905811

Molecular Formulas

Molecular Formula

  • C17-H21-N-O2-S.Cl-H

Molecular Formula Fragments

  • C17-H21-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NO2S.ClH/c1-18(2)12-13-7-5-6-8-17(13)21-14-9-10-15(19-3)16(11-14)20-4;/h5-11H,12H2,1-4H3;1H

InChIKey

XQLYIWQCQGHYTQ-UHFFFAOYSA-N

Smiles

CN(C)Cc1ccccc1Sc2ccc(c(c2)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 3294, 1989.