1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride

Modify Date: 2025-09-23 11:36:13

1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride structure	Common Name	1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride
	CAS Number	110406-41-2	Molecular Weight	542.92700
	Density	N/A	Boiling Point	642.6ºC at 760mmHg
	Molecular Formula	C₂₉H₃₀Cl₃N₃O	Melting Point	N/A
	MSDS	N/A	Flash Point	342.4ºC

Name	2-[1-[2-(4-chlorophenyl)ethyl]azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one,hydrochloride

Boiling Point	642.6ºC at 760mmHg
Molecular Formula	C₂₉H₃₀Cl₃N₃O
Molecular Weight	542.92700
Flash Point	342.4ºC
Exact Mass	541.14500
PSA	38.13000
LogP	7.30370
Vapour Pressure	2.1E-16mmHg at 25°C
InChIKey	NFLFLIMLTBODCP-UHFFFAOYSA-N
SMILES	Cl.O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCc2ccc(Cl)cc2)CC1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TH9203710

CHEMICAL NAME :: 1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-y l)-4- ((4-chlorophenyl)methyl)-, monohydrochloride

CAS REGISTRY NUMBER :: 110406-41-2

LAST UPDATED :: 199609

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C29-H29-Cl2-N3-O.Cl-H

MOLECULAR WEIGHT :: 542.97

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 :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4841047

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