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Substance Name: 2,4,6-Cycloheptatrien-1-one, 2-((2-(diisopropylamino)ethyl)amino)-, dihydrochloride
RN: 18189-48-5
InChIKey: SDSLZDZVUFROFW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H24-N2-O.2Cl-H

Molecular Weight

  • 321.289
 
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Names and Synonyms

Synonyms

  • 2-((2-(Diisopropylamino)ethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride
  • 2-((2-(Diisopropylamino)ethyl)amino)tropone dihydrochloride

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one, 2-((2-(diisopropylamino)ethyl)amino)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 18189-48-5

System Generated Number

  • 0018189485

Molecular Formulas

Molecular Formula

  • C15-H24-N2-O.2Cl-H

Molecular Formula Fragments

  • C15-H24-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H24N2O.2ClH/c1-12(2)17(13(3)4)11-10-16-14-8-6-5-7-9-15(14)18;;/h5-9,12-13H,10-11H2,1-4H3,(H,16,18);2*1H

InChIKey

SDSLZDZVUFROFW-UHFFFAOYSA-N

Smiles

c1([NH+]CC[NH+](C(C)C)C(C)C)c(ccccc1)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal Chemistry. Vol. 10, Pg. 1144, 1967.