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Substance Name: Ethanethiol, 2-(5-(5-cyano-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 41287-12-1
InChIKey: DHNRXCVJLHOLKS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-N3-O4-S2

Molecular Weight

  • 345.4421
 
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Names and Synonyms

Synonyms

  • BRN 0445362
  • Ethanethiosulfuric acid, 2-(5-(5-cyano-2-pyridyloxy)pentyl)amino-
  • S-2-((5-(5-Cyano-2-pyridyloxy)pentyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-(5-(5-cyano-2-pyridyloxy)pentyl)amino)ethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 41287-12-1

System Generated Number

  • 0041287121

Structure Descriptors

InChI

1S/C13H19N3O4S2/c14-10-12-4-5-13(16-11-12)20-8-3-1-2-6-15-7-9-21-22(17,18)19/h4-5,11,15H,1-3,6-9H2,(H,17,18,19)

InChIKey

DHNRXCVJLHOLKS-UHFFFAOYSA-N

Smiles

c1cc(ncc1C#N)OCCCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.