Deacetylcinobufagin

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Names

[ CAS No. ]:
4026-95-3

[ Name ]:
Deacetylcinobufagin

[Synonym ]:
Desacetylcinobufagin
5β-Bufa-20,22-dienolide, 14,15β-epoxy-3β,16β-dihydroxy-
(3β,5β,15β,16β)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide
Bufa-20,22-dienolide, 14,15-epoxy-3,16-dihydroxy-, (3β,5β,15β,16β)-
Deacetylcinobufagin
16-deacetylcinobufagin
Deacetylcinobufagine

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
601.9±55.0 °C at 760 mmHg

[ Melting Point ]:
278-280ºC

[ Molecular Formula ]:
C24H32O5

[ Molecular Weight ]:
400.508

[ Flash Point ]:
208.1±25.0 °C

[ Exact Mass ]:
400.224976

[ PSA ]:
83.20000

[ LogP ]:
2.00

[ Vapour Pressure ]:
0.0±3.9 mmHg at 25°C

[ Index of Refraction ]:
1.619

[ Storage condition ]:
-20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EI2963500
CHEMICAL NAME :
5-beta-Bufa-20,22-dienolide, 3-beta,16-beta-dihydroxy-14,15-beta-epoxy-
CAS REGISTRY NUMBER :
4026-95-3
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C24-H32-O5
MOLECULAR WEIGHT :
400.56

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 :
15 ug/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - antipsychotic
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 24,1714,1976
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
4415 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 3,111,1961

Related Compounds

  • 1-(4-Ethynylphenyl)-2,2-difluoroethan-1-amine
  • 1-(6-Fluoro-2-methylpyridin-3-yl)methanamine hydrochloride
  • Tert-butyl 5-[3-(aminomethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
  • Methyl 5-phenyl-3-azabicyclo[3.1.1]heptane-1-carboxylate
  • Tert-butyl 3-[2-(methylamino)ethoxy]benzoate
  • tert-butyl 7H,8H-imidazo[1,2-a]pyrimidine-6-carboxylate
  • 2-{[(Benzyloxy)carbonyl](methyl)amino}-5-bromobenzoic acid
  • 3-{[(Benzyloxy)carbonyl](ethyl)amino}benzoic acid
  • 1-[(benzyloxy)carbonyl]-6-bromo-2,3-dihydro-1H-indole-4-carboxylic acid
  • Ethyl 5-amino-2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
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