2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-4-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone,bromide

Names

[ CAS No. ]:
17766-80-2

[ Name ]:
2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-4-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone,bromide

Chemical & Physical Properties

[ Boiling Point ]:
538.4ºC at 760 mmHg

[ Molecular Formula ]:
C19H31BrN2O6

[ Molecular Weight ]:
463.36300

[ Flash Point ]:
279.4ºC

[ Exact Mass ]:
462.13700

[ PSA ]:
80.70000

[ LogP ]:
1.35550

[ Vapour Pressure ]:
2.01E-12mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM8760000
CHEMICAL NAME :
Acetophenone, 2-(4-(2-(2-hydroxyethoxy)ethyl)piperazinyl)-3',4',5'- trimethoxy-, hydrobromide
CAS REGISTRY NUMBER :
17766-80-2
LAST UPDATED :
199307
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H30-N2-O6.Br-H
MOLECULAR WEIGHT :
463.43
WISWESSER LINE NOTATION :
T6N DNTJ A2O2Q D1VR CO1 DO1 EO1 &EH

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 :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 11,332,1968

Related Compounds

  • (2S)-2-{[(1RS,2SR)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexyl]formamido}-3,3-dimethylbutanoic acid
  • (4R)-3-[(1RS,2SR)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexanecarbonyl]-1,3-thiazolidine-4-carboxylic acid
  • (2R)-2-[(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanamido]pentanoic acid
  • 1-[(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanoyl]-4-hydroxypiperidine-4-carboxylic acid
  • 2-[(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanamido]cyclopentane-1-carboxylic acid
  • 1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)spiro[4.4]nonane-1-carboxylic acid
  • 2-({[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]formamido}methyl)-1,3-thiazole-5-carboxylic acid
  • 5-[(2-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]sulfanyl}-N-methylacetamido)methyl]furan-2-carboxylic acid
  • 1-methyl-10-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)-6-oxa-2-thia-9-azaspiro[4.5]decane
  • 10-(4,4-Difluorobutyl)-1-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane
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