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Substance Name: 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride
RN: 18189-47-4
InChIKey: UTSDPVDIACMPKL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N2-O.2Cl-H

Molecular Weight

  • 293.236
 
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Names and Synonyms

Synonyms

  • 2-((2-(Diethylamino)ethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride
  • 2-(beta-Diethylaminoethylamino)tropone dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 18189-47-4

System Generated Number

  • 0018189474

Molecular Formulas

Molecular Formula

  • C13-H20-N2-O.2Cl-H

Molecular Formula Fragments

  • C13-H20-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H20N2O.2ClH/c1-3-15(4-2)11-10-14-12-8-6-5-7-9-13(12)16;;/h5-9H,3-4,10-11H2,1-2H3,(H,14,16);2*1H

InChIKey

UTSDPVDIACMPKL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

VASCULAR: RELAXATION (ISOLATED TISSUES)
Journal of Medicinal Chemistry. Vol. 10, Pg. 1144, 1967.