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Substance Name: Benzeneethanamine, 2-((2-methoxyphenyl)thio)-N,N,alpha-trimethyl-, hydrochloride
RN: 128959-28-4
InChIKey: NCAPSIOMQAOOPK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N-O-S.Cl-H

Molecular Weight

  • 337.9126
 
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Names and Synonyms

Synonyms

  • 2-((2-Methoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine hydrochloride
  • N,N-Dimethyl-1-(2-(2-methoxyphenylthio)phenyl)-2-propylamine hydrochloride

Systematic Name

  • Benzeneethanamine, 2-((2-methoxyphenyl)thio)-N,N,alpha-trimethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 128959-28-4

System Generated Number

  • 0128959284

Molecular Formulas

Molecular Formula

  • C18-H23-N-O-S.Cl-H

Molecular Formula Fragments

  • C18-H23-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NOS.ClH/c1-14(19(2)3)13-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20-4;/h5-12,14H,13H2,1-4H3;1H

InChIKey

NCAPSIOMQAOOPK-UHFFFAOYSA-N

Smiles

CC(Cc1ccccc1Sc2ccccc2OC)N(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1077, 1990.
mouse LD50 oral 256mg/kg (256mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1077, 1990.