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Substance Name: Ethanethiol, 2-(5-(5-bromo-2-pyridyloxy)pentyl)amino-, dihydrochloride
RN: 41287-53-0
InChIKey: ZEVBVMDQMBCLIB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-Br-N2-O-S.2Cl-H

Molecular Weight

  • 392.1869
 
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Names and Synonyms

Synonyms

  • 2-((5-(5-Bromo-2-pyridyloxy)pentyl)amino)ethanethiol dihydrochloride
  • Pyridine, 5-bromo-2-(5-(2-mercaptoethyl)amino)pentyloxy-, dihydrochloride

Systematic Name

  • Ethanethiol, 2-(5-(5-bromo-2-pyridyloxy)pentyl)amino-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 41287-53-0

System Generated Number

  • 0041287530

Molecular Formulas

Molecular Formula

  • C12-H19-Br-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C12-H19-Br-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H19BrN2OS.2ClH/c13-11-4-5-12(15-10-11)16-8-3-1-2-6-14-7-9-17;;/h4-5,10,14,17H,1-3,6-9H2;2*1H

InChIKey

ZEVBVMDQMBCLIB-UHFFFAOYSA-N

Smiles

c1cc(ncc1Br)OCCCCCNCCS.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.
mouse LD50 oral > 550mg/kg (550mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.