3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Names
[ CAS No. ]:
41931-98-0
[ Name ]:
3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
[Synonym ]:
4-(10,11-Dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol S-oxide
Oxyprothepin 5,8-disulfide
AC-6793
8-Methansulfinyl-10-<4-(3-hydroxypropyl)piperazin>-10,11-dihydrodibenzo<b,f>thiepin-5-oxid
1-Piperazinepropanol,4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-,S-oxide
Chemical & Physical Properties
[ Density]:
1.41 g/cm3
[ Boiling Point ]:
652.7ºC at 760 mmHg
[ Molecular Formula ]:
C22H28N2O3S2
[ Molecular Weight ]:
432.59900
[ Exact Mass ]:
432.15400
[ PSA ]:
99.27000
[ LogP ]:
3.79510
[ Index of Refraction ]:
1.72
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TM2668600
- CHEMICAL NAME :
- 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepi n-10-yl)-, S-oxide
- CAS REGISTRY NUMBER :
- 41931-98-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C22-H28-N2-O3-S2
- MOLECULAR WEIGHT :
- 432.64
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 :
- 380 mg/kg
- TOXIC EFFECTS :
- Behavioral - ataxia
- 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: 45,504,1980