(7-oxocyclohepta-1,3,5-trien-1-yl)-(2-piperidin-1-ium-1-ylethyl)azanium,dichloride

Names

[ CAS No. ]:
18189-50-9

[ Name ]:
(7-oxocyclohepta-1,3,5-trien-1-yl)-(2-piperidin-1-ium-1-ylethyl)azanium,dichloride

[Synonym ]:
2-((2-Piperidinoethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride
2,4,6-CYCLOHEPTATRIEN-1-ONE,2-((2-PIPERIDINOETHYL)AMINO)-,DIHYDROCHLORIDE
(7-oxocyclohepta-1,3,5-trien-1-yl)-(2-piperidin-1-ium-1-ylethyl)azanium dichloride

Chemical & Physical Properties

[ Molecular Formula ]:
C14H22Cl2N2O

[ Molecular Weight ]:
305.24300

[ Exact Mass ]:
304.11100

[ PSA ]:
32.34000

[ LogP ]:
3.55950

[ Vapour Pressure ]:
5.03E-07mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4612000
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 2-((2-piperidinoethyl)amino)-, dihydrochloride
CAS REGISTRY NUMBER :
18189-50-9
LAST UPDATED :
198202
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H20-N2-O.2Cl-H
MOLECULAR WEIGHT :
305.28
WISWESSER LINE NOTATION :
T6NTJ A2M- BL7VJ &GH 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Vascular - relaxation (isolated tissues) Lungs, Thorax, or Respiration - respiratory stimulation Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 10,1144,1967

Related Compounds

  • 2-(Bromomethyl)-1,3-thiazole-4-carboxylic acid
  • 4,5-Dihydro-4,4-dimethyl-2-[2-methyl-4-[trifluoromethyl]phenyl]oxazole
  • [(1-Cyanocyclopentyl)carbamoyl]methyl 2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-YL)acetate
  • (4S,5R)-2-(2,4-Dimethoxyphenyl)-3-((2-nitrophenyl)thio)-4-phenyloxazolidine-5-carboxylate Sodium Salt
  • 3-[(Thiophen-2-ylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
  • 4-Isopropylpyridin-2-ol
  • N-(1-Cyanocycloheptyl)-2-[4-(4-methylbenzenesulfonyl)-1,4-diazepan-1-YL]acetamide
  • Methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
  • 2-Naphthalenecarboxamide, N-(3-chloro-4-methylphenyl)-3-hydroxy-, monosodium salt
  • N,N-Dimethyl-2-(2-propen-1-ylamino)acetamide
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