4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one,chloride
Names
[ CAS No. ]:
21609-71-2
[ Name ]:
4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one,chloride
[Synonym ]:
1-BENZOTHIEPIN-5(2H)-ONE,3,4-DIHYDRO-4-(PIPERIDINOMETHYL)-,HYDROCHLORIDE
1-[(5-oxo-2,3,4,5-tetrahydro-1-benzothiepin-4-yl)methyl]piperidinium chloride
4-(Piperidinomethyl)-2,3,4,5-tetrahydro-1-benzothiepin-5-one hydrochloride
3,4-Dihydro-4-(piperidinomethyl)-1-benzothiepin-5(2H)-one hydrochloride
4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride
Chemical & Physical Properties
[ Molecular Formula ]:
C16H22ClNOS
[ Molecular Weight ]:
311.87000
[ Exact Mass ]:
311.11100
[ PSA ]:
45.61000
[ LogP ]:
4.20710
[ Vapour Pressure ]:
4.17E-07mmHg at 25°C
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DL8886000
- CHEMICAL NAME :
- 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride
- CAS REGISTRY NUMBER :
- 21609-71-2
- LAST UPDATED :
- 198612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C16-H21-N-O-S.Cl-H
- MOLECULAR WEIGHT :
- 311.90
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 33,4315,1968