Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1)
RN: 134480-50-5
InChIKey: JPUBXSMBWWPRPI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N-S.C2-H2-O4

Molecular Weight

  • 285.3621
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 4-(2-(Butylthio)ethyl)pyridine ethanedioate (1:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 134480-50-5

System Generated Number

  • 0134480505

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

InChIKey

JPUBXSMBWWPRPI-UHFFFAOYSA-N

Smiles

CCCCSCCc1ccncc1.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 183mg/kg (183mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 174, 1991.