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Substance Name: Nicotinic acid, 4-(2-chloroethylthio)-, methyl ester
RN: 13096-16-7
InChIKey: OCDFSSSDQDARQA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-Cl-N-O2-S

Molecular Weight

  • 231.702
 
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Names and Synonyms

Synonyms

  • 3-Pyridinecarboxylic acid, 4-(2-chloroethylthio)-, methyl ester
  • 4-(2-Chloroethylthio)-3-pyridinecarboxylic acid methyl ester
  • 4-(2-Chloroethylthio)nicotinic acid methyl ester
  • 5-22-05-00112 (Beilstein Handbook Reference)
  • BRN 0391350
  • Methyl 4-(2-chloroethylthio)nicotinate

Systematic Name

  • Nicotinic acid, 4-(2-chloroethylthio)-, methyl ester

Registry Numbers

CAS Registry Number

  • 13096-16-7

System Generated Number

  • 0013096167

Structure Descriptors

InChI

1S/C9H10ClNO2S/c1-13-9(12)7-6-11-4-2-8(7)14-5-3-10/h2,4,6H,3,5H2,1H3

InChIKey

OCDFSSSDQDARQA-UHFFFAOYSA-N

Smiles

c1c(c(ccn1)SCCCl)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 257, 1967.