3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

Modify Date: 2025-08-22 18:37:23

3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Structure
3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol structure
 Common Name 3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
CAS Number 41931-98-0 Molecular Weight 432.59900
Density 1.41 g/cm3 Boiling Point 652.7ºC at 760 mmHg
Molecular Formula C22H28N2O3S2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Synonym More Synonyms

 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

 Synonyms

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
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Chemsrc provides CAS#:41931-98-0 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol>> amp version: 3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

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