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Substance Name: Ethanethiol, 2-(3-(5-chloro-2-pyridyloxy)propyl)amino-, hydrogen sulfate (ester)
RN: 41286-96-8
InChIKey: GQKJIYAQMYZWPY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-Cl-N2-O4-S2

Molecular Weight

  • 326.8235
 
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Names and Synonyms

Synonyms

  • BRN 1687757
  • Ethanethiosulfuric acid, 2-(3-(5-chloro-2-pyridyloxy)propyl)amino-
  • S-2-((3-(5-Chloro-2-pyridyloxy)propyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((3-(5-chloro-2-pyridyloxy)propyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(3-(5-chloro-2-pyridyloxy)propyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41286-96-8

System Generated Number

  • 0041286968

Structure Descriptors

InChI

1S/C10H15ClN2O4S2/c11-9-2-3-10(13-8-9)17-6-1-4-12-5-7-18-19(14,15)16/h2-3,8,12H,1,4-7H2,(H,14,15,16)

InChIKey

GQKJIYAQMYZWPY-UHFFFAOYSA-N

Smiles

c1cc(ncc1Cl)OCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/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.