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Substance Name: Ethanethiol, 2-(2-(5-bromo-2-pyridyloxy)ethyl)amino-, hydrogen sulfate (ester)
RN: 41286-92-4
InChIKey: NRJCXKSPPCEIAQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-Br-N2-O4-S2

Molecular Weight

  • 357.2477
 
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Names and Synonyms

Synonyms

  • BRN 1482486
  • Ethanethiosulfuric acid, 2-(2-(5-bromo-2-pyridyloxy)ethyl)amino-
  • S-2-((2-(5-Bromo-2-pyridyloxy)ethyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((2-(5-bromo-2-pyridyloxy)ethyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(2-(5-bromo-2-pyridyloxy)ethyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41286-92-4

System Generated Number

  • 0041286924

Structure Descriptors

InChI

1S/C9H13BrN2O4S2/c10-8-1-2-9(12-7-8)16-5-3-11-4-6-17-18(13,14)15/h1-2,7,11H,3-6H2,(H,13,14,15)

InChIKey

NRJCXKSPPCEIAQ-UHFFFAOYSA-N

Smiles

c1cc(ncc1Br)OCCNCCSS(=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.