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CAS No.: | 471-95-4 |
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Name: | Bufotaline |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C26H36 O6 |
Molecular Weight: | 444.568 |
Synonyms: | 5b-Bufa-20,22-dienolide, 3b,14,16b-trihydroxy-, 16-acetate (6CI,8CI); 3b,14,16b-Trihydroxy-5b-bufa-20,22-dienolide 16-acetate; Bufotalin; NSC 89596 |
Density: | 1.26 g/cm3 |
Melting Point: | 223°C (rough estimate) |
Boiling Point: | 591.7 °C at 760 mmHg |
Flash Point: | 195.8 °C |
Solubility: | Soluble in 100% ethanol or chloroform. |
Appearance: | White to off-white solid. |
Safety: | A deadly poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits acrid and irritating fumes. |
PSA: | 96.97000 |
LogP: | 3.78350 |
Chemistry informtion about Bufotaline (CAS NO.471-95-4) is:
IUPAC Name: [(3s,5r,10s,13r,14s,16s,17r)-3,14-Dihydroxy-10,13-Dimethyl-17-(6-Oxopyran-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Acetate
Synonyms: 16-(Acetyloxy)-3,14-Dihydroxybufa-20,22-Dienolide ; 22-Dienolide,3-Beta,14,16-Beta-Trihydroxy-5-Beta-Bufa-216-Acetate ; 5beta-Bufa-20,22-Dienolide, 3beta,14,16beta-Trihydroxy-, 16-Acetate ; Bufa-20,22-Dienolide, 16-(Acetyloxy)-3,14-Dihydroxy-, (3beta,5beta,16beta)- ; Bufotaline ; Bufotalin ; Bufotalin Sulfate ; Gamma-Bufotalin
Product Categories: Miscellaneous Natural Products
MF: C26H36O6
MW: 444.56
Density: 1.26 g/cm3
Flash Point: 195.8 °C
Boiling Point: 591.7 °C at 760 mmHg
Vapour Pressure: 1.82E-16 mmHg at 25°C
Enthalpy of Vaporization: 101.29 kJ/mol
Following is the molecular structure of Bufotaline (CAS NO.471-95-4) is:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LD50 | intravenous | 136ug/kg (0.136mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 74, Pg. 223, 1942. | |
cat | LD50 | unreported | 130ug/kg (0.13mg/kg) | Pharmazie in Unserer Zeit. Vol. 13, Pg. 129, 1984. | |
dog | LDLo | intravenous | 360ug/kg (0.36mg/kg) | Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 152, Pg. 571, 1958. | |
dog | LDLo | oral | 980ug/kg (0.98mg/kg) | Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 152, Pg. 571, 1958. | |
frog | LDLo | unreported | 1200ug/kg (1.2mg/kg) | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 86, Pg. 138, 1920. | |
mouse | LD50 | intravenous | 4130ug/kg (4.13mg/kg) | behavioral: tremor behavioral: convulsions or effect on seizure threshold behavioral: antipsychotic | Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 1714, 1976. |
mouse | LD50 | subcutaneous | 400ug/kg (0.4mg/kg) | Clinical Toxicology. Vol. 4, Pg. 331, 1971. | |
mouse | LD50 | unreported | 1131ug/kg (1.131mg/kg) | Pharmazie in Unserer Zeit. Vol. 13, Pg. 129, 1984. |
A deadly poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits acrid and irritating fumes.
RIDADR: 3172
HazardClass: 6.1(a)
PackingGroup: II
Bufotaline (CAS NO.471-95-4) is a cardiotoxic bufanolide steroid secreted by the Common European toad (Bufo bufo) and other related toads such as Bufo melanostictus.