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Substance Name: Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride
RN: 20809-18-1
InChIKey: JSDLKEFDROPWAG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N-O2.Cl-H

Molecular Weight

  • 313.866
 
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Names and Synonyms

Synonym

  • 4-Isovaleryl-beta-(N,N-diethyl)phenoxyethylamine, hydrochloride

Systematic Name

  • Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 20809-18-1

System Generated Number

  • 0020809181

Molecular Formulas

Molecular Formula

  • C17-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C17-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27NO2.ClH/c1-5-18(6-2)11-12-20-16-9-7-15(8-10-16)17(19)13-14(3)4;/h7-10,14H,5-6,11-13H2,1-4H3;1H

InChIKey

JSDLKEFDROPWAG-UHFFFAOYSA-N

Smiles

c1(ccc(OCC[NH+](CC)CC)cc1)C(CC(C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Medicinal Chemistry. Vol. 10, Pg. 266, 1967.