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Substance Name: Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride
RN: 100482-77-7
InChIKey: VRORKNMUVQZITI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O-S.Cl-H

Molecular Weight

  • 323.8858
 
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Names and Synonyms

Synonyms

  • 1-(4-(Methylamino)butoxy)-2-(phenylthio)benzene hydrochloride
  • N-Methyl-4-(o-(phenylthio)phenoxy)butylamine hydrochloride

Systematic Name

  • Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 100482-77-7

System Generated Number

  • 0100482777

Molecular Formulas

Molecular Formula

  • C17-H21-N-O-S.Cl-H

Molecular Formula Fragments

  • C17-H21-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NOS.ClH/c1-3-4-14-18(2)19-16-12-8-9-13-17(16)20-15-10-6-5-7-11-15;/h5-13H,3-4,14H2,1-2H3;1H

InChIKey

VRORKNMUVQZITI-UHFFFAOYSA-N

Smiles

CCCCN(C)Oc1ccccc1Sc2ccccc2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 980mg/kg (980mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Journal of Medicinal Chemistry. Vol. 24, Pg. 145, 1981.