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Substance Name: Ethanethiol, 2-(5-(5-iodo-2-pyridyloxy)pentyl)amino-, hydrochloride
RN: 41287-55-2
InChIKey: LDHXSKPYAZKHNX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-I-N2-O-S.Cl-H

Molecular Weight

  • 402.722
 
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Names and Synonyms

Synonyms

  • 2-((5-(5-Iodo-2-pyridyloxy)pentyl)amino)ethanethiol hydrochloride
  • Pyridine, 5-iodo-2-(5-(2-mercaptoethyl)amino)pentyloxy-, hydrochloride

Systematic Name

  • Ethanethiol, 2-(5-(5-iodo-2-pyridyloxy)pentyl)amino-, hydrochloride

Registry Numbers

CAS Registry Number

  • 41287-55-2

System Generated Number

  • 0041287552

Molecular Formulas

Molecular Formula

  • C12-H19-I-N2-O-S.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C12H19IN2OS.ClH/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;1H

InChIKey

LDHXSKPYAZKHNX-UHFFFAOYSA-N

Smiles

c1cc(ncc1I)OCCCCCNCCS.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.
mouse LD50 oral 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.