but-2-enedioic acid, [1-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl methyl)-4-piperidyl]-(4-methoxyphenyl)methanone

Modify Date: 2025-09-23 13:28:40

but-2-enedioic acid, [1-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl methyl)-4-piperidyl]-(4-methoxyphenyl)methanone structure	Common Name	but-2-enedioic acid, [1-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl methyl)-4-piperidyl]-(4-methoxyphenyl)methanone
	CAS Number	76362-13-5	Molecular Weight	483.51000
	Density	N/A	Boiling Point	520.8ºC at 760 mmHg
	Molecular Formula	C₂₆H₂₉NO₈	Melting Point	N/A
	MSDS	N/A	Flash Point	268.7ºC

Name	[1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-4-piperidinyl](4-meth oxyphenyl)methanone (2E)-2-butenedioate (1:1)

Boiling Point	520.8ºC at 760 mmHg
Molecular Formula	C₂₆H₂₉NO₈
Molecular Weight	483.51000
Flash Point	268.7ºC
Exact Mass	483.18900
PSA	122.60000
LogP	3.07960
InChIKey	YVCJQVSZVQRMQV-WLHGVMLRSA-N
SMILES	COc1ccc(C(=O)C2CCN(CC3COc4ccccc4O3)CC2)cc1.O=C(O)C=CC(=O)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: PC4950165

CHEMICAL NAME :: Methanone, (1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-piper idinyl)(4-methoxyphen yl)-, (E)-2-butenedioate

CAS REGISTRY NUMBER :: 76362-13-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C22-H25-N-O4.C4-H4-O4

MOLECULAR WEIGHT :: 483.56

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 :: 364 mg/kg

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

REFERENCE :: EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #14295

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