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Substance Name: Benzeneethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,alpha-dimethyl-, ethanedioate (1:1)
RN: 128959-27-3
InChIKey: IZVOQFDSHGDWSI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N-O2-S.C2-H2-O4

Molecular Weight

  • 407.4845
 
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Names and Synonyms

Synonyms

  • 2-((3,4-Dimethoxyphenyl)thio)-N,alpha-dimethylbenzeneethanamine ethanedioate (1:1)
  • N-Methyl-1-(2-(3,4-dimethoxyphenylthio)phenyl)-2-propylamine oxalate

Systematic Name

  • Benzeneethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,alpha-dimethyl-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 128959-27-3

System Generated Number

  • 0128959273

Molecular Formulas

Molecular Formula

  • C18-H23-N-O2-S.C2-H2-O4

Molecular Formula Fragments

  • C18-H23-N-O2-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NO2S.C2H2O4/c1-13(19-2)11-14-7-5-6-8-18(14)22-15-9-10-16(20-3)17(12-15)21-4;3-1(4)2(5)6/h5-10,12-13,19H,11H2,1-4H3;(H,3,4)(H,5,6)

InChIKey

IZVOQFDSHGDWSI-UHFFFAOYSA-N

Smiles

CC(Cc1ccccc1Sc2ccc(c(c2)OC)OC)NC.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 51mg/kg (51mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1077, 1990.
mouse LD50 oral 329mg/kg (329mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1077, 1990.