Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride

Names

[ Name ]:
Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride

[Synonym ]:
4-(3-(4-Fluorobenzoyl)propyl)-4-azahomoadamantane hydrochloride
4-(4-Azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluorobutyrophenone hydrochloride
1-Butanone,4-(4-azatricyclo(4.3.1.13,8)undec-4-yl)-1-(4-fluorophenyl)-,hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
445.1ºC at 760 mmHg

[ Molecular Formula ]:
C₂₀H₂₇ClFNO

[ Molecular Weight ]:
351.88600

[ Flash Point ]:
223ºC

[ Exact Mass ]:
351.17700

[ PSA ]:
20.31000

[ LogP ]:
5.03900

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EU1140000

CHEMICAL NAME :: Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride

CAS REGISTRY NUMBER :: 31556-12-4

LAST UPDATED :: 199103

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C20-H26-F-N-O.Cl-H

MOLECULAR WEIGHT :: 351.93

WISWESSER LINE NOTATION :: T66 B7/B-H/DJ A B- C 1B J INTJ I3VR DF &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >320 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: 14,411,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 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: 14,411,1971

Related Compounds

rac-(3aR,6aR)-4-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoyl]-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxylic acid
1-({[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-5-yl]formamido}methyl)cyclobutane-1-carboxylic acid
2,2-Difluoro-1-(3-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4,4,4-trifluoro-N-methylbutanamido]-2-methylpropanoic acid
(2S)-2-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylbutanamido]-3-methylpentanoic acid
2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethylpropanamido]-5-iodobenzoic acid
4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-oxo-5-[4-(propan-2-yl)piperazin-1-yl]pentanoic acid
2-{1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,3-thiazole-4-amido]cyclopentyl}acetic acid
4-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]pentanoic acid
(2R)-1-[(1RS,3RS)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid

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