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Substance Name: Ethanethiol, 2-(5-(5-chloro-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 40771-31-1
InChIKey: JTRXPPVLPJRQIF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-Cl-N2-O4-S2

Molecular Weight

  • 354.8771
 
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Names and Synonyms

Synonyms

  • BRN 1688615
  • Ethanethiosulfuric acid, 2-(5-(5-chloro-2-pyridyloxy)pentyl)amino-
  • S-2-((5-(5-Chloro-2-pyridyloxy)pentyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((5-(5-chloro-2-pyridyloxy)pentyl)amino)ethyl) ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40771-31-1

System Generated Number

  • 0040771311

Structure Descriptors

InChI

1S/C12H19ClN2O4S2/c13-11-4-5-12(15-10-11)19-8-3-1-2-6-14-7-9-20-21(16,17)18/h4-5,10,14H,1-3,6-9H2,(H,16,17,18)

InChIKey

JTRXPPVLPJRQIF-UHFFFAOYSA-N

Smiles

c1cc(ncc1Cl)OCCCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 225mg/kg (225mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.