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

1-(4-{[3-(1H-tetrazol-1-yl)phenyl]carbonyl}piperazin-1-yl)ethanone
N-[2-(1H-imidazol-5-yl)ethyl]-3-(1H-tetrazol-1-yl)benzamide
(4-Phenylpiperazin-1-yl)[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methanone
[4-(3-Methoxyphenyl)piperazino][2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methanone
[4-(3-Methoxyphenyl)piperazino](2-methyl-1,3-benzothiazol-6-yl)methanone
4-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino]-N~1~-isopropyl-4-oxobutanamide
2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-N-(3-hydroxyphenyl)acetamide
2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-N-(6-methylpyridin-2-yl)acetamide
2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-4-(1H-tetrazol-1-yl)benzamide

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.