1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)th iepin-10-yl)-, dimethanesulfonate (salt)

Modify Date: 2025-08-24 18:36:41

1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)th iepin-10-yl)-, dimethanesulfonate (salt) structure	Common Name	1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)th iepin-10-yl)-, dimethanesulfonate (salt)
	CAS Number	81223-37-2	Molecular Weight	597.16500
	Density	N/A	Boiling Point	534ºC at 760 mmHg
	Molecular Formula	C₂₃H₃₃ClN₂O₈S₃	Melting Point	N/A
	MSDS	N/A	Flash Point	276.7ºC

Name	2-[4-(3-chloro-10-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol,methanesulfonic acid

Boiling Point	534ºC at 760 mmHg
Molecular Formula	C₂₃H₃₃ClN₂O₈S₃
Molecular Weight	597.16500
Flash Point	276.7ºC
Exact Mass	596.10900
PSA	186.74000
LogP	4.75230
InChIKey	SWTNCSPELWUWJE-UHFFFAOYSA-N
SMILES	COc1cccc2c1Sc1ccc(Cl)cc1CC2N1CCN(CCO)CC1.CS(=O)(=O)O.CS(=O)(=O)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TL7030000

CHEMICAL NAME :: 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-6-methoxydibenzo(b,f)thiepi n-10-yl)-, dimethanesulfonate (salt)

CAS REGISTRY NUMBER :: 81223-37-2

LAST UPDATED :: 198612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H25-Cl-N2-O2-S.2C-H4-O3-S

MOLECULAR WEIGHT :: 597.21

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 :: 649 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: 46,2245,1981

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