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Substance Name: 2,4,6-Cycloheptatrien-1-one, 2-((2-piperidinoethyl)amino)-, dihydrochloride
RN: 18189-50-9
InChIKey: DFEIWIAFFJBXKZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-N2-O.2Cl-H

Molecular Weight

  • 305.247
 
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Names and Synonyms

Synonyms

  • 2-((2-Piperidinoethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride
  • 2-(beta-Piperidinoethylamino)tropone dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 18189-50-9

System Generated Number

  • 0018189509

Molecular Formulas

Molecular Formula

  • C14-H20-N2-O.2Cl-H

Molecular Formula Fragments

  • C14-H20-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H20N2O.2ClH/c17-14-8-4-1-3-7-13(14)15-9-12-16-10-5-2-6-11-16;;/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,17);2*1H

InChIKey

DFEIWIAFFJBXKZ-UHFFFAOYSA-N

Smiles

c1(c(ccccc1)=O)[NH+]CC[NH+]1CCCCC1.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg) VASCULAR: RELAXATION (ISOLATED TISSUES)

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