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Substance Name: Butyrophenone, 2'-(2-(diethylamino)ethoxy)-3'-nitro-, hydrochloride
RN: 20809-11-4
InChIKey: SMRWUDYXSJCZDW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N2-O4.Cl-H

Molecular Weight

  • 344.836
 
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Names and Synonyms

Synonyms

  • 2-Butyryl-6-nitro-beta-(N,N-diethyl)phenoxyethylamine, hydrochloride
  • Butyrophenone, 6'-(2-(diethylamino)ethoxy)-5'-nitro-, hydrochloride

Systematic Name

  • Butyrophenone, 2'-(2-(diethylamino)ethoxy)-3'-nitro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 20809-11-4

System Generated Number

  • 0020809114

Molecular Formulas

Molecular Formula

  • C16-H24-N2-O4.Cl-H

Molecular Formula Fragments

  • C16-H24-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H24N2O4.ClH/c1-4-8-15(19)13-9-7-10-14(18(20)21)16(13)22-12-11-17(5-2)6-3;/h7,9-10H,4-6,8,11-12H2,1-3H3;1H

InChIKey

SMRWUDYXSJCZDW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

CARDIAC: OTHER CHANGES

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