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Substance Name: Bufalin
RN: 465-21-4
UNII: U549S98QLW
InChIKey: QEEBRPGZBVVINN-BMPKRDENSA-N

Note

  • Cardiotonic; powerful anesthetic & one of the active constituents of the Chinese drug ch'an su(senso); in Japan prepared from skin of Bufo bufo garfarizans.

Molecular Formula

  • C24-H34-O4

Molecular Weight

  • 386.5286
 

Classification Codes

  • Antineoplastic Agents
  • Cardiotonic Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Natural Product
  • Protective Agents
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Names and Synonyms

Name of Substance

  • Bufalin

Synonyms

  • 3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide
  • BRN 5141601
  • Bufalin
  • NSC 89595
  • UNII-U549S98QLW

Systematic Names

  • 3,14-Dihydroxy-bufa-20,22-dienolide
  • 5-beta-Bufa-20,22-dienolide, 3-beta,14-dihydroxy-
  • 5beta-Bufa-20,22-dienolide, 3beta,14-dihydroxy- (8CI)
  • Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)- (9CI)
  • Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)- (9CI)

Mixture Name

  • Ch'an su

Registry Numbers

CAS Registry Number

  • 465-21-4

FDA UNII

  • U549S98QLW

System Generated Number

  • 0000465214

Structure Descriptors

InChI

1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1

InChIKey

QEEBRPGZBVVINN-BMPKRDENSA-N

Smiles

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4c5ccc(=O)oc5)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 140ug/kg (0.14mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 189, 1963.
cat LDLo unreported 137ug/kg (0.137mg/kg)   Pharmaceutica Acta Helvetiae. Vol. 24, Pg. 222, 1949.
mouse LD50 intravenous 740ug/kg (0.74mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

BEHAVIORAL: ANTIPSYCHOTIC
Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 1714, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 242.5 deg C   EXP
log P (octanol-water) 3.420 (none)   EST
Atmospheric OH Rate Constant 1.11E-10 cm3/molecule-sec 25 EST

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