18188-86-8

18188-86-8 structure

18188-86-8 structure

Name: (7-oxocyclohepta-1,3,5-trien-1-yl)-[3-oxo-3-(2-piperidin-1-ium-1-ylethoxy)propyl]azanium,dichloride
Chemical Name: (7-oxocyclohepta-1,3,5-trien-1-yl)-[3-oxo-3-(2-piperidin-1-ium-1-ylethoxy)propyl]azanium,dichloride
CAS Number: 18188-86-8
Molecular Formula: C₁₇H₂₆Cl₂N₂O₃
Molecular Weight: 377.30600
Create Date: 2017-01-31 19:40:25
Modify Date: 2024-02-03 19:50:43

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

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

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