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Substance Name: Pyridine, 4-(2-((1-methylpropyl)thio)ethyl)-, ethanedioate (1:1)
RN: 134480-52-7
InChIKey: YGMAOUKOXNOSDI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N-S.C2-H2-O4

Molecular Weight

  • 285.3621
 
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Names and Synonyms

Synonym

  • 4-(2-((1-Methylpropyl)thio)ethyl)pyridine ethanedioate (1:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 134480-52-7

System Generated Number

  • 0134480527

Molecular Formulas

Molecular Formula

  • C11-H17-N-S.C2-H2-O4

Molecular Formula Fragments

  • C11-H17-N-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H17NS.C2H2O4/c1-3-10(2)13-9-6-11-4-7-12-8-5-11;3-1(4)2(5)6/h4-5,7-8,10H,3,6,9H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

YGMAOUKOXNOSDI-UHFFFAOYSA-N

Smiles

CCC(C)SCCc1ccncc1.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 219mg/kg (219mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 174, 1991.