11-(3-Dimethylaminopropyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen oxa late hemihydrate

Modify Date: 2025-09-01 09:56:32

11-(3-Dimethylaminopropyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen oxa late hemihydrate structure	Common Name	11-(3-Dimethylaminopropyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen oxa late hemihydrate
	CAS Number	82387-05-1	Molecular Weight	389.46500
	Density	N/A	Boiling Point	398ºC at 760 mmHg
	Molecular Formula	C₂₀H₂₃NO₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	194.5ºC

Name	3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethylazanium,2-hydroxy-2-oxoacetate

Boiling Point	398ºC at 760 mmHg
Molecular Formula	C₂₀H₂₃NO₅S
Molecular Weight	389.46500
Flash Point	194.5ºC
Exact Mass	389.13000
PSA	112.37000
LogP	4.12310

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HQ3930000

CAS REGISTRY NUMBER :: 82387-05-1

LAST UPDATED :: 198612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H21-N-O-S.C2-H2-O4.1/2H2-O

MOLECULAR WEIGHT :: 398.47

WISWESSER LINE NOTATION :: T C676 BO IS JHJ J3N1&1 &QVVQ &QH 1/2

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 :: 496 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: 47,967,1982

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