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Substance Name: Valerophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride
RN: 20809-26-1
InChIKey: XFEZBIHOFIWTOK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H31-N-O2.Cl-H

Molecular Weight

  • 341.92
 
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Names and Synonyms

Synonyms

  • 2'-(2-(Diisopropylamino)ethoxy)valerophenone hydrochloride
  • 2-Valeryl-beta-(N,N-diisopropyl)phenoxyethylamine, hydrochloride
  • Valerophenone, 6'-(2-(diisopropylamino)ethoxy)-, hydrochloride

Systematic Name

  • Valerophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 20809-26-1

System Generated Number

  • 0020809261

Molecular Formulas

Molecular Formula

  • C19-H31-N-O2.Cl-H

Molecular Formula Fragments

  • C19-H31-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H31NO2.ClH/c1-6-7-11-18(21)17-10-8-9-12-19(17)22-14-13-20(15(2)3)16(4)5;/h8-10,12,15-16H,6-7,11,13-14H2,1-5H3;1H

InChIKey

XFEZBIHOFIWTOK-UHFFFAOYSA-N

Smiles

C(CCCC)(=O)c1c(cccc1)OCCN(C(C)C)C(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/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.