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Substance Name: Ethanethiol, 2-(5-(5-nitro-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 41287-08-5
InChIKey: SZMZPHUVKHKNPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N3-O6-S2

Molecular Weight

  • 365.4291
 
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Names and Synonyms

Synonyms

  • BRN 1503549
  • Ethanethiosulfuric acid, 2-(5-(5-nitro-2-pyridyloxy)pentyl)amino-
  • S-2-((5-(5-Nitro-2-pyridyloxy)pentyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((5-(5-nitro-2-pyridyloxy)pentyl)amino)ethyl) ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 41287-08-5

System Generated Number

  • 0041287085

Structure Descriptors

InChI

1S/C12H19N3O6S2/c16-15(17)11-4-5-12(14-10-11)21-8-3-1-2-6-13-7-9-22-23(18,19)20/h4-5,10,13H,1-3,6-9H2,(H,18,19,20)

InChIKey

SZMZPHUVKHKNPE-UHFFFAOYSA-N

Smiles

c1cc(ncc1[N+](=O)[O-])OCCCCCNCCSS(=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.