(7-oxocyclohepta-1,3,5-trien-1-yl)-[3-oxo-3-(2-piperidin-1-ium-1-ylethoxy)propyl]azanium,dichloride

Names

[ CAS No. ]:
18188-86-8

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

[Synonym ]:
(7-oxocyclohepta-1,3,5-trien-1-yl)-[3-oxo-3-(2-piperidin-1-ium-1-ylethoxy)propyl]azanium dichloride

Chemical & Physical Properties

[ Molecular Formula ]:
C17H26Cl2N2O3

[ Molecular Weight ]:
377.30600

[ Exact Mass ]:
376.13200

[ PSA ]:
58.64000

[ LogP ]:
3.49280

[ Vapour Pressure ]:
2.57E-10mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AY7525700
CHEMICAL NAME :
beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-piperidinoethyl ester, dihydrochloride
CAS REGISTRY NUMBER :
18188-86-8
LAST UPDATED :
198202
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H24-N2-O3.2Cl-H
MOLECULAR WEIGHT :
377.35
WISWESSER LINE NOTATION :
T6NTJ A2OV2M- 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 :
350 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
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

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 5-Fluoro-2-(1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl)pyridine
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • Methyl 3-(2,5-dihydroxyphenyl)-2-hydroxy-3-methylbutanoate
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine