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Substance Name: Ethanethiol, 2-(6-(5-bromo-2-pyridyloxy)hexyl)amino-, hydrochloride
RN: 41287-56-3
InChIKey: NSSIGKVPZKVTNW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-Br-N2-O-S.Cl-H

Molecular Weight

  • 369.7528
 
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Names and Synonyms

Synonyms

  • 2-((6-(5-Bromo-2-pyridyloxy)hexyl)amino)ethanethiol hydrochloride
  • Pyridine, 5-bromo-2-(6-(2-mercaptoethyl)amino)pentyloxy-, hydrochloride

Systematic Name

  • Ethanethiol, 2-(6-(5-bromo-2-pyridyloxy)hexyl)amino-, hydrochloride

Registry Numbers

CAS Registry Number

  • 41287-56-3

System Generated Number

  • 0041287563

Molecular Formulas

Molecular Formula

  • C13-H21-Br-N2-O-S.Cl-H

Molecular Formula Fragments

  • C13-H21-Br-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21BrN2OS.ClH/c14-12-5-6-13(16-11-12)17-9-4-2-1-3-7-15-8-10-18;/h5-6,11,15,18H,1-4,7-10H2;1H

InChIKey

NSSIGKVPZKVTNW-UHFFFAOYSA-N

Smiles

c1cc(ncc1Br)OCCCCCCNCCS.Cl

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.
mouse LD50 oral 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.