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Substance Name: Benzeneethanamine, N,alpha-dimethyl-2-(phenylthio)-, ethanedioate (1:1)
RN: 127876-84-0
InChIKey: OKLWJTWDYATDTJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N-S.C2-H2-O4

Molecular Weight

  • 347.4329
 
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Names and Synonyms

Synonyms

  • N,alpha-Dimethyl-2-(phenylthio)benzeneethanamine ethanedioate (1:1)
  • N-Methyl-1-(2-(phenylthio)phenyl)-2-propylamine oxalate
  • RTECS CX7532000
  • VUFB-15486

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127876-84-0

System Generated Number

  • 0127876840

Molecular Formulas

Molecular Formula

  • C16-H19-N-S.C2-H2-O4

Molecular Formula Fragments

  • C16-H19-N-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19NS.C2H2O4/c1-13(17-2)12-14-8-6-7-11-16(14)18-15-9-4-3-5-10-15;3-1(4)2(5)6/h3-11,13,17H,12H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

OKLWJTWDYATDTJ-UHFFFAOYSA-N

Smiles

CC(Cc1ccccc1Sc2ccccc2)NC.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 292mg/kg (292mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.