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

Tert-butyl 3-oxo-2,3-dihydroisoxazole-5-carboxylate
tert-Butyl 3-hexyl-1H-indole-1-carboxylate
tert-Butyl 3-(5-cyanooxazol-4-yl)pyrrolidine-1-carboxylate
Tert-butyl 4-(((6-amino-5-(4-(3-fluorophenoxy)phenyl)pyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate
Tert-butyl 4-(((6-amino-5-(4-phenoxy-2-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate
5-Oxaspiro[3.5]nonane-9-carboxylic acid
Tert-butyl 4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)amino)methyl)-4-hydroxypiperidine-1-carboxylate
3-Bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonitrile
Methyl 3-carbamoyl-2,2-difluorobicyclo[1.1.1]pentane-1-carboxylate
3-(2-((2-Methylcyclobutyl)amino)ethyl)thietane 1,1-dioxide

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