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Substance Name: 2,4,6-Cycloheptatrien-1-one, 2-((3-(dimethylamino)propyl)amino)-, dihydrochloride
RN: 18189-51-0
InChIKey: XLTQYTBIIJXATJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O.2Cl-H

Molecular Weight

  • 279.209
 
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Names and Synonyms

Synonyms

  • 2-((3-(Dimethylamino)propyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride
  • 2-(3-Dimethylaminopropylamino)tropone dihydrochloride

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one, 2-((3-(dimethylamino)propyl)amino)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 18189-51-0

System Generated Number

  • 0018189510

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O.2Cl-H

Molecular Formula Fragments

  • C12-H18-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18N2O.2ClH/c1-14(2)10-6-9-13-11-7-4-3-5-8-12(11)15;;/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15);2*1H

InChIKey

XLTQYTBIIJXATJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 160mg/kg (160mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Medicinal Chemistry. Vol. 10, Pg. 1144, 1967.