41931-98-0

41931-98-0 structure

41931-98-0 structure

Name: 3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Chemical 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 Formula: C₂₂H₂₈N₂O₃S₂
Molecular Weight: 432.59900
Create Date: 2018-12-29 22:18:41
Modify Date: 2024-02-25 10:08:20

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

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

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