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Substance Name: Ethanethiol, 2-(6-(5-chloro-2-pyridyloxy)hexyl)amino-, hydrogen sulfate (ester)
RN: 41287-14-3
InChIKey: GZMFYOQJALCSLS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-Cl-N2-O4-S2

Molecular Weight

  • 368.9039
 
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Names and Synonyms

Synonyms

  • BRN 1659349
  • Ethanethiosulfuric acid, 2-(6-(5-chloro-2-pyridyloxy)hexyl)amino-
  • S-2-((6-(5-Chloro-2-pyridyloxy)hexyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((6-(5-chloro-2-pyridyloxy)hexyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(6-(5-chloro-2-pyridyloxy)hexyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41287-14-3

System Generated Number

  • 0041287143

Structure Descriptors

InChI

1S/C13H21ClN2O4S2/c14-12-5-6-13(16-11-12)20-9-4-2-1-3-7-15-8-10-21-22(17,18)19/h5-6,11,15H,1-4,7-10H2,(H,17,18,19)

InChIKey

GZMFYOQJALCSLS-UHFFFAOYSA-N

Smiles

c1cc(ncc1Cl)OCCCCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.
mouse LD50 oral > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.