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Substance Name: Pyridine, 4-(2-(methylthio)ethyl)-, ethanedioate (1:1)
RN: 134480-47-0
InChIKey: VTXXZDMKBVHZDM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H11-N-S.C2-H2-O4

Molecular Weight

  • 243.2817
 
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Names and Synonyms

Synonym

  • 4-(2-Methylthioethyl)pyridinium oxalate

Systematic Name

  • Pyridine, 4-(2-(methylthio)ethyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 134480-47-0

System Generated Number

  • 0134480470

Molecular Formulas

Molecular Formula

  • C8-H11-N-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C8-H11-N-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H11NS.C2H2O4/c1-10-7-4-8-2-5-9-6-3-8;3-1(4)2(5)6/h2-3,5-6H,4,7H2,1H3;(H,3,4)(H,5,6)

InChIKey

VTXXZDMKBVHZDM-UHFFFAOYSA-N

Smiles

CSCCc1ccncc1.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 105mg/kg (105mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 174, 1991.