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)

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Names

[ CAS No. ]:
559-49-9

[ 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)

[Synonym ]:
Annotinin
ANNOTININE

Chemical & Physical Properties

[ 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

Toxicological Information

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

Related Compounds

  • 1-(2,6-difluorophenyl)-3-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)urea
  • N-(5-(4-(ethylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
  • 1-(4-Butoxyphenyl)-3-(1-(thiophen-2-yl)propan-2-yl)urea
  • 1-Ethyl-3-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)urea
  • 4-(N,N-dimethylsulfamoyl)-N-(2-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
  • N-(2,3-dimethylphenyl)cyclopropanesulfonamide
  • N-(cyclohexylmethyl)cyclopropanesulfonamide
  • N-(3-chloro-2-methylphenyl)cyclopropanesulfonamide
  • 2-methoxy-N-(3-methylisothiazol-5-yl)benzamide
  • N-(3-(4-fluorophenoxy)benzyl)methanesulfonamide
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