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Substance Name: 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride
RN: 18189-49-6
InChIKey: OVQDUYMSWLDEJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2-O2.2Cl-H

Molecular Weight

  • 307.219
 
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Names and Synonyms

Synonyms

  • 2-((2-Morpholinoethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride
  • 2-(beta-Morpholinoethylamino)tropone dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 18189-49-6

System Generated Number

  • 0018189496

Molecular Formulas

Molecular Formula

  • C13-H18-N2-O2.2Cl-H

Molecular Formula Fragments

  • C13-H18-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18N2O2.2ClH/c16-13-5-3-1-2-4-12(13)14-6-7-15-8-10-17-11-9-15;;/h1-5H,6-11H2,(H,14,16);2*1H

InChIKey

OVQDUYMSWLDEJO-UHFFFAOYSA-N

Smiles

c1(c(ccccc1)=O)[NH+]CC[NH+]1CCOCC1.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) VASCULAR: RELAXATION (ISOLATED TISSUES)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Journal of Medicinal Chemistry. Vol. 10, Pg. 1144, 1967.