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Substance Name: 1-Propanamine, N,N-dimethyl-3-(2-((methylthio)methyl)-9H-thioxanthen-9-ylidene)-, ethanedioate (1:1)
RN: 93825-15-1
InChIKey: YDVCHZDJSUPYAQ-OHGISNTKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-S2.C2-H2-O4

Molecular Weight

  • 431.5745
 
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Names and Synonyms

Synonyms

  • 9-(3-Dimethylaminopropylidene)-2-(methylthiomethyl)thioxanthene hydrogen oxalate
  • N,N-Dimethyl-3-(2-((methylthio)methyl)-9H-thioxanthen-9-ylidene)-1-propanamine oxalate

Systematic Name

  • 1-Propanamine, N,N-dimethyl-3-(2-((methylthio)methyl)-9H-thioxanthen-9-ylidene)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 93825-15-1

System Generated Number

  • 0093825151

Molecular Formulas

Molecular Formula

  • C20-H23-N-S2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H23-N-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NS2.C2H2O4/c1-21(2)12-6-8-16-17-7-4-5-9-19(17)23-20-11-10-15(14-22-3)13-18(16)20;3-1(4)2(5)6/h4-5,7-11,13H,6,12,14H2,1-3H3;(H,3,4)(H,5,6)/b16-8+;

InChIKey

YDVCHZDJSUPYAQ-OHGISNTKSA-N

Smiles

CN(C)CC/C=C/1\c2ccccc2Sc3c1cc(cc3)CSC.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 1722, 1984.