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Substance Name: Ethanethiol, 2-(4-(5-bromo-2-pyridyloxy)butyl)amino-, hydrochloride
RN: 41287-48-3
InChIKey: HNYGUIIKHLACQV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-Br-N2-O-S.Cl-H

Molecular Weight

  • 341.6992
 
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Names and Synonyms

Synonyms

  • 2-((4-(5-Bromo-2-pyridyloxy)butyl)amino)ethanethiol hydrochloride
  • Pyridine, 5-bromo-2-(4-(2-mercaptoethyl)amino)butoxy-, hydrochloride

Systematic Name

  • Ethanethiol, 2-(4-(5-bromo-2-pyridyloxy)butyl)amino-, hydrochloride

Registry Numbers

CAS Registry Number

  • 41287-48-3

System Generated Number

  • 0041287483

Molecular Formulas

Molecular Formula

  • C11-H17-Br-N2-O-S.Cl-H

Molecular Formula Fragments

  • C11-H17-Br-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H17BrN2OS.ClH/c12-10-3-4-11(14-9-10)15-7-2-1-5-13-6-8-16;/h3-4,9,13,16H,1-2,5-8H2;1H

InChIKey

HNYGUIIKHLACQV-UHFFFAOYSA-N

Smiles

c1cc(ncc1Br)OCCCCNCCS.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.