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Name	Bufotaline	EINECS	N/A
CAS No.	471-95-4	Density	1.26 g/cm³
PSA	96.97000	LogP	3.78350
Solubility	Soluble in 100% ethanol or chloroform.	Melting Point	223°C (rough estimate)
Formula	C26H36 O6	Boiling Point	591.7 °C at 760 mmHg
Molecular Weight	444.568	Flash Point	195.8 °C
Transport Information	N/A	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.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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	Article Data	2

Bufotaline Chemical Properties

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:

Bufotaline Toxicity Data With Reference

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.

Bufotaline Safety Profile

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 Specification

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.

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