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Substance Name: Isobutyrophenone, 2'-(2-(dimethylamino)ethoxy)-, hydrochloride
RN: 20809-00-1
InChIKey: CYGWEGXZLCSMCI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O2.Cl-H

Molecular Weight

  • 271.786
 
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Names and Synonyms

Synonyms

  • 2-Isobutyryl-beta-(N,N-dimethyl)phenoxyethylamine, hydrochloride
  • Isobutyrophenone, 6'-(2-(dimethylamino)ethoxy)-, hydrochloride

Systematic Name

  • Isobutyrophenone, 2'-(2-(dimethylamino)ethoxy)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 20809-00-1

System Generated Number

  • 0020809001

Molecular Formulas

Molecular Formula

  • C14-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C14-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NO2.ClH/c1-11(2)14(16)12-7-5-6-8-13(12)17-10-9-15(3)4;/h5-8,11H,9-10H2,1-4H3;1H

InChIKey

CYGWEGXZLCSMCI-UHFFFAOYSA-N

Smiles

c1(c(OCC[NH+](C)C)cccc1)C(C(C)C)=O.[ClH-]

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.