Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride
Names
[ CAS No. ]:
31556-12-4
[ 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