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Substance Name: Benzeneethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,N,alpha-trimethyl-, ethanedioate (1:1)
RN: 128959-30-8
InChIKey: FKZWGKJVBHUMGV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-N-O2-S.C2-H2-O4

Molecular Weight

  • 421.5113
 
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Names and Synonyms

Synonym

  • 2-((3,4-Dimethoxyphenyl)thio)-N,N,alpha-trimethylbenzeneethanamine ethanedioate (1:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 128959-30-8

System Generated Number

  • 0128959308

Molecular Formulas

Molecular Formula

  • C19-H25-N-O2-S.C2-H2-O4

Molecular Formula Fragments

  • C19-H25-N-O2-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H25NO2S.C2H2O4/c1-14(20(2)3)12-15-8-6-7-9-19(15)23-16-10-11-17(21-4)18(13-16)22-5;3-1(4)2(5)6/h6-11,13-14H,12H2,1-5H3;(H,3,4)(H,5,6)

InChIKey

FKZWGKJVBHUMGV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 458mg/kg (458mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1077, 1990.