10b,10c-Ethano-1,4-methano-4H,9H-oxepino[3,4,5-ij]oxireno[b]quinolizin-2(1H)-one,hexahydro-12-methyl-, (1S,4R,4aS,9aR,10aS,10bS,10cS,12R)- (9CI)

Modify Date: 2025-09-18 18:07:32

10b,10c-Ethano-1,4-methano-4H,9H-oxepino[3,4,5-ij]oxireno[b]quinolizin-2(1H)-one,hexahydro-12-methyl-, (1S,4R,4aS,9aR,10aS,10bS,10cS,12R)- (9CI) structure	Common Name	10b,10c-Ethano-1,4-methano-4H,9H-oxepino[3,4,5-ij]oxireno[b]quinolizin-2(1H)-one,hexahydro-12-methyl-, (1S,4R,4aS,9aR,10aS,10bS,10cS,12R)- (9CI)
	CAS Number	559-49-9	Molecular Weight	275.34300
	Density	1.37g/cm3	Boiling Point	462ºC at 760mmHg
	Molecular Formula	C₁₆H₂₁NO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	233.2ºC

Name	(3S,4R,6S,9R,10S,16R,17S)-12-methyl3,12-dioxa-6-azahexacyclo[8.4.3.111,14.01,17.02,4.06,17]octadecane-7-one
Synonym	More Synonyms

Density	1.37g/cm3
Boiling Point	462ºC at 760mmHg
Molecular Formula	C₁₆H₂₁NO₃
Molecular Weight	275.34300
Flash Point	233.2ºC
Exact Mass	275.15200
PSA	42.07000
LogP	1.12760
Index of Refraction	1.631
InChIKey	MVITYUVPZPGMRM-RLFDSYHXSA-N
SMILES	CC1CC23C4CCCN2CC2OC2C13C1CC4OC1=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CA1190000

CHEMICAL NAME :: Annotinine

CAS REGISTRY NUMBER :: 559-49-9

BEILSTEIN REFERENCE NO. :: 0030714

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H21-N-O3

MOLECULAR WEIGHT :: 275.38

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 115 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 34,197,1945

Annotinin

ANNOTININE

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