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Substance Name: Benzeneethanamine, 2-((2-methoxyphenyl)thio)-N,alpha-dimethyl-, ethanedioate (1:1)
RN: 128959-23-9
InChIKey: YPIGSSDUSFFPPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O-S.C2-H2-O4

Molecular Weight

  • 377.4587
 
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Names and Synonyms

Synonyms

  • 2-((2-Methoxyphenyl)thio)-N,alpha-dimethylbenzeneethanamine ethanedioate (1:1)
  • N-Methyl-1-(2-(2-methoxyphenylthio)phenyl)-2-propylamine oxalate

Systematic Name

  • Benzeneethanamine, 2-((2-methoxyphenyl)thio)-N,alpha-dimethyl-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 128959-23-9

System Generated Number

  • 0128959239

Molecular Formulas

Molecular Formula

  • C17-H21-N-O-S.C2-H2-O4

Molecular Formula Fragments

  • C17-H21-N-O-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NOS.C2H2O4/c1-13(18-2)12-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19-3;3-1(4)2(5)6/h4-11,13,18H,12H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

YPIGSSDUSFFPPT-UHFFFAOYSA-N

Smiles

CC(Cc1ccccc1Sc2ccccc2OC)NC.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 474mg/kg (474mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1077, 1990.