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Substance Name: Pyridine, 4-(2-(ethylthio)ethyl)-, ethanedioate (1:1)
RN: 134480-48-1
InChIKey: XAHFBCKJNKLTPR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-N-S.C2-H2-O4

Molecular Weight

  • 257.3085
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 134480-48-1

System Generated Number

  • 0134480481

Molecular Formulas

Molecular Formula

  • C9-H13-N-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C9-H13-N-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H13NS.C2H2O4/c1-2-11-8-5-9-3-6-10-7-4-9;3-1(4)2(5)6/h3-4,6-7H,2,5,8H2,1H3;(H,3,4)(H,5,6)

InChIKey

XAHFBCKJNKLTPR-UHFFFAOYSA-N

Smiles

CCSCCc1ccncc1.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 174, 1991.