Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bufotalin
RN: 471-95-4
UNII: EGL9670I6P
InChIKey: VOZHMAYHYHEWBW-NVOOAVKYSA-N

Note

  • From toads.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H36-O6

Molecular Weight

  • 444.5644
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Bufotalin

Synonyms

  • Bufotalin
  • Bufotaline
  • NSC 89596
  • UNII-EGL9670I6P

Systematic Names

  • 3beta-14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide
  • 5-beta-Bufa-20,22-dienolide, 3-beta,14,16-beta-trihydroxy-, 16-acetate
  • 5beta-Bufa-20,22-dienolide, 3beta,14,16beta-trihydroxy-, 16-acetate (8CI)
  • Bufa-20,22-dienolide, 16-(acetyloxy)-3,14-dihydroxy-, (3beta,5beta,16beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 471-95-4

FDA UNII

  • EGL9670I6P

System Generated Number

  • 0000471954

Structure Descriptors

InChI

1S/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8-13H2,1-3H3/t17-,18+,19+,20-,21+,23+,24+,25-,26+/m1/s1

InChIKey

VOZHMAYHYHEWBW-NVOOAVKYSA-N

Smiles

c1([C@@H]2[C@@]3([C@]([C@@H]4[C@@H]([C@@]5([C@@H](C[C@@H](O)CC5)CC4)C)CC3)(O)C[C@@H]2OC(C)=O)C)ccc(=O)oc1

Toxicity

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: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 223 dec deg C   EXP
log P (octanol-water) 2.880 (none)   EST
Atmospheric OH Rate Constant 1.13E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.