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Substance Name: Benzeneethanamine, 2-((3,4-dimethoxyphenyl)thio)-alpha-methyl-, hydrochloride
RN: 128959-18-2
InChIKey: OHTKBSWZKZOJSL-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

Synonyms

  • 1-(2-(3,4-Dimethoxyphenylthio)phenyl)-2-propylamine hydrochloride
  • 2-((3,4-Dimethoxyphenyl)thio)-alpha-methylbenzeneethanamine hydrochloride

Systematic Name

  • Benzeneethanamine, 2-((3,4-dimethoxyphenyl)thio)-alpha-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 128959-18-2

System Generated Number

  • 0128959182

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/c1-12(18)10-13-6-4-5-7-17(13)21-14-8-9-15(19-2)16(11-14)20-3;/h4-9,11-12H,10,18H2,1-3H3;1H

InChIKey

OHTKBSWZKZOJSL-UHFFFAOYSA-N

Smiles

CC(Cc1ccccc1Sc2ccc(c(c2)OC)OC)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1077, 1990.
mouse LD50 oral 382mg/kg (382mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1077, 1990.