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Substance Name: Ethanethiol, 2-((4-(2-isopropylphenoxy)butyl)amino)-, hydrochloride
RN: 38920-71-7
InChIKey: VPVBMLNYLRWVPW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H25-N-O-S.Cl-H

Molecular Weight

  • 303.8954
 
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Names and Synonyms

Synonym

  • 2-((4-(2-Isopropylphenoxy)butyl)amino)ethanethiol hydrochloride

Systematic Name

  • Ethanethiol, 2-((4-(2-isopropylphenoxy)butyl)amino)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 38920-71-7

System Generated Number

  • 0038920717

Molecular Formulas

Molecular Formula

  • C15-H25-N-O-S.Cl-H

Molecular Formula Fragments

  • C15-H25-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H25NOS.ClH/c1-13(2)14-7-3-4-8-15(14)17-11-6-5-9-16-10-12-18;/h3-4,7-8,13,16,18H,5-6,9-12H2,1-2H3;1H

InChIKey

VPVBMLNYLRWVPW-UHFFFAOYSA-N

Smiles

CC(C)c1ccccc1OCCCCNCCS.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.