(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