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Substance Name: Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride
RN: 23468-12-4
InChIKey: UPEFLMOAGLFPED-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N-O-S.Cl-H

Molecular Weight

  • 289.869
 
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Names and Synonyms

Synonym

  • 2-((4-(2,6-Xylyloxy)butyl)amino)ethanethiol hydrochloride

Systematic Name

  • Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 23468-12-4

System Generated Number

  • 0023468124

Molecular Formulas

Molecular Formula

  • C14-H23-N-O-S.Cl-H

Molecular Formula Fragments

  • C14-H23-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H23NOS.ClH/c1-12-6-5-7-13(2)14(12)16-10-4-3-8-15-9-11-17;/h5-7,15,17H,3-4,8-11H2,1-2H3;1H

InChIKey

UPEFLMOAGLFPED-UHFFFAOYSA-N

Smiles

C(CNCCCCOc1c(cccc1C)C)S.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.