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

Names

[ 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

5-{[(Benzyloxy)carbonyl]amino}-3-hydroxy-2-methylbenzoic acid
Tert-butyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate
rac-ethyl (3R,4S)-4-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
rac-(3R,4S)-1-benzyl-4-({[(benzyloxy)carbonyl]amino}methyl)pyrrolidine-3-carboxylic acid
methyl 4-amino-1-methyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylate
2-[(Benzyloxy)carbonyl]-6,9-dioxa-2-azaspiro[4.5]decane-7-carboxylic acid
6-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propoxy]pyridine-2-carboxylic acid
rac-(3aR,6aS)-5-[(benzyloxy)carbonyl]-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid
Ethyl 3-amino-2-chloro-5-hydroxybenzoate
Methyl 1-(aminomethyl)-3-methyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate

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