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Substance Name: Ethanethiol, 2-(5-(6-bromo-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 41287-05-2
InChIKey: CHCWSQPFKCUFSC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-Br-N2-O4-S2

Molecular Weight

  • 399.3281
 
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Names and Synonyms

Synonyms

  • BRN 1491932
  • Ethanethiosulfuric acid, 2-(5-(6-bromo-2-pyridyloxy)pentyl)amino-
  • S-2-((5-(6-Bromo-2-pyridyloxy)pentyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((5-(6-bromo-2-pyridyloxy)pentyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(5-(6-bromo-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41287-05-2

System Generated Number

  • 0041287052

Structure Descriptors

InChI

1S/C12H19BrN2O4S2/c13-11-5-4-6-12(15-11)19-9-3-1-2-7-14-8-10-20-21(16,17)18/h4-6,14H,1-3,7-10H2,(H,16,17,18)

InChIKey

CHCWSQPFKCUFSC-UHFFFAOYSA-N

Smiles

c1cc(nc(c1)Br)OCCCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.