1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-m ethoxyphenyl)-

Modify Date: 2023-01-11 10:55:04

1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-m ethoxyphenyl)- structure	Common Name	1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-m ethoxyphenyl)-
	CAS Number	76099-08-6	Molecular Weight	308.33100
	Density	1.4g/cm3	Boiling Point	547.3ºC at 760 mmHg
	Molecular Formula	C₁₈H₁₆N₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	284.8ºC

Name	brn 5617237

Density	1.4g/cm3
Boiling Point	547.3ºC at 760 mmHg
Molecular Formula	C₁₈H₁₆N₂O₃
Molecular Weight	308.33100
Flash Point	284.8ºC
Exact Mass	308.11600
PSA	45.51000
LogP	2.67500
Index of Refraction	1.695
InChIKey	KNLXMDDCEIBRBJ-UHFFFAOYSA-N
SMILES	COc1cccc(C23OCC(Cn4c2nc2ccccc24)O3)c1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KD1506900

CHEMICAL NAME :: 1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-methoxyphenyl)-

CAS REGISTRY NUMBER :: 76099-08-6

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H16-N2-O3

MOLECULAR WEIGHT :: 308.36

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 :: >1 gm/kg

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

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,199,1980

Methanone, 1H-benzimidazol-2-yl(3-methoxyphenyl)- structure

Methanone, 1H-b...

CAS#:76098-89-0

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1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(3-m ethoxyphenyl)- Structure

1,4-Epoxy-1H,3H...

CAS#:76099-08-6

Literature: Dostert; Langlois; Guerret; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 3 p. 199 - 205

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