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Substance Name: Phenol, 3-((2-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)
RN: 134478-66-3
InChIKey: JQJIDDDKVYSLFD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-N2-O2-S4.C2-H2-O4

Molecular Weight

  • 620.8328
 
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Names and Synonyms

Synonyms

  • 3-((2-((Dimethylamino)methyl)-3-thienyl)thio)phenol ethanedioate (2:1) (salt)
  • N,N-Dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate

Systematic Name

  • Phenol, 3-((2-((dimethylamino)methyl)-3-thienyl)thio)-, ethanedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 134478-66-3

System Generated Number

  • 0134478663

Molecular Formulas

Molecular Formula

  • C26-H30-N2-O2-S4.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H30-N2-O2-S4
  • COMPONENT

Structure Descriptors

InChI

1S/2C13H15NOS2.C2H2O4/c2*1-14(2)9-13-12(6-7-16-13)17-11-5-3-4-10(15)8-11;3-1(4)2(5)6/h2*3-8,15H,9H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

JQJIDDDKVYSLFD-UHFFFAOYSA-N

Smiles

CN(C)Cc1c(ccs1)Sc2cccc(c2)O.CN(C)Cc1c(ccs1)Sc2cccc(c2)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 117mg/kg (117mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 56, Pg. 449, 1991.