3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane,(E)-but-2-enedioic acid

Modify Date: 2024-01-06 09:51:51

3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane,(E)-but-2-enedioic acid structure	Common Name	3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane,(E)-but-2-enedioic acid
	CAS Number	84509-24-0	Molecular Weight	403.46900
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₂H₂₉NO₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane,(E)-but-2-enedioic acid

Molecular Formula	C₂₂H₂₉NO₆
Molecular Weight	403.46900
Exact Mass	403.19900
PSA	96.30000
LogP	2.84390
InChIKey	TXLSMKZMMURDHF-WLHGVMLRSA-N
SMILES	O=C(O)C=CC(=O)O.c1ccc(CN2CC3COC(C4CCCCC4)(C2)O3)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: JG5848185

CAS REGISTRY NUMBER :: 84509-24-0

LAST UPDATED :: 199609

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H25-N-O2.C4-H4-O4

MOLECULAR WEIGHT :: 403.52

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >400 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: #4463004

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