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Substance Name: Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1)
RN: 127876-79-3
InChIKey: DBRHLPGCJSBQML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-N-S.C2-H2-O4

Molecular Weight

  • 333.4061
 
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Names and Synonyms

Synonyms

  • N-Methyl-2-(2-(phenylthio)phenyl)ethylamine oxalate
  • N-Methyl-2-(phenylthio)benzeneethanamine ethanedioate (1:1)

Systematic Name

  • Benzeneethanamine, N-methyl-2-(phenylthio)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 127876-79-3

System Generated Number

  • 0127876793

Molecular Formulas

Molecular Formula

  • C15-H17-N-S.C2-H2-O4

Molecular Formula Fragments

  • C15-H17-N-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H17NS.C2H2O4/c1-16-12-11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14;3-1(4)2(5)6/h2-10,16H,11-12H2,1H3;(H,3,4)(H,5,6)

InChIKey

DBRHLPGCJSBQML-UHFFFAOYSA-N

Smiles

CNCCc1ccccc1Sc2ccccc2.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 55mg/kg (55mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.