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Substance Name: Bufotalinin
RN: 562-21-0
InChIKey: TYFUTHRVUVOENP-SHFSIXQYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C24-H30-O6

Molecular Weight

  • 414.495
 
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Names and Synonyms

Results Name

  • Bufotalinin

Synonyms

  • 3-beta,5-Dihydroxy-14,15-beta-epoxy-19-oxo-5-beta-bufa-20,22-dienolide
  • 4-19-00-03021 (Beilstein Handbook Reference)
  • BRN 0060938
  • Bufotalinin

Systematic Names

  • 5-beta-Bufa-20,22-dienolide, 3-beta,5-dihydroxy-14,15-beta-epoxy-19-oxo-
  • Bufa-20,22-dienolide, 14,15-epoxy-3,5-dihydroxy-19-oxo-, (3-beta,5-beta,15-beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 562-21-0

System Generated Number

  • 0000562210

Structure Descriptors

InChI

1S/C24H30O6/c1-21-7-5-16-17(6-9-23(28)11-15(26)4-8-22(16,23)13-25)24(21)19(30-24)10-18(21)14-2-3-20(27)29-12-14/h2-3,12-13,15-19,26,28H,4-11H2,1H3/t15-,16?,17?,18+,19+,21+,22-,23-,24+/m0/s1

InChIKey

TYFUTHRVUVOENP-SHFSIXQYSA-N

Smiles

O1[C@]23[C@@H]4[C@@H]([C@@]5([C@](C[C@@H](O)CC5)(O)CC4)C=O)CC[C@@]3([C@@H](c3ccc(=O)oc3)C[C@@H]12)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 620ug/kg (0.62mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 189, 1963.
cat LD50 unreported 619ug/kg (0.619mg/kg)   Pharmazie in Unserer Zeit. Vol. 13, Pg. 129, 1984.
mouse LD50 unreported 620ug/kg (0.62mg/kg)   Pharmazie in Unserer Zeit. Vol. 13, Pg. 129, 1984.