18189-50-9

18189-50-9 structure

18189-50-9 structure

Name: (7-oxocyclohepta-1,3,5-trien-1-yl)-(2-piperidin-1-ium-1-ylethyl)azanium,dichloride
Chemical Name: (7-oxocyclohepta-1,3,5-trien-1-yl)-(2-piperidin-1-ium-1-ylethyl)azanium,dichloride
CAS Number: 18189-50-9
Molecular Formula: C₁₄H₂₂Cl₂N₂O
Molecular Weight: 305.24300
Create Date: 2017-02-21 19:31:05
Modify Date: 2024-02-04 18:30:42

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

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

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