Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bufogenin [INN:JAN]
RN: 465-39-4
UNII: 3K654P2M4J
InChIKey: ATLJNLYIJOCWJE-CWMZOUAVSA-N

Note

  • Respiratory stimulant; from toad.

Molecular Formula

  • C24-H32-O4

Molecular Weight

  • 384.5128
 

Classification Codes

  • Cardiotonic Agents
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Protective Agents
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Bufogenin
  • Bufogenin [INN:JAN]
  • Resibufogenin

Synonyms

  • 14,15-beta-Epoxy-3-beta-hydroxy-5-beta-bufa-20,22-dienolide
  • 14,15beta-Epoxy-3beta-hydroxy-5beta-bufa-20,22-dienolide
  • 3-beta-Hydroxy-14,15-beta-epoxy-5-beta-bufa-20,22-dienolide
  • 3beta-Hydroxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide
  • Bufogenin
  • Bufogenina
  • Bufogenina [INN-Spanish]
  • Bufogenina [Spanish]
  • Bufogenine
  • Bufogenine [INN-French]
  • Bufogeninum
  • Bufogeninum [INN-Latin]
  • NSC 90783
  • RBG
  • Resi (VAN)
  • Resibufogenin
  • Respigon
  • UNII-3K654P2M4J

Systematic Names

  • 14,15beta-Epoxy-3beta-hydroxy-5beta-bufa-20,22-dienolide
  • 5-beta-Bufa-20,22-dienolide, 14,15-beta-epoxy-3-beta-hydroxy-
  • 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta-hydroxy- (8CI)
  • Bufa-20,22-dienolide, 14,15-epoxy-3-hydroxy-, (3beta,5beta,15beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 465-39-4

FDA UNII

  • 3K654P2M4J

System Generated Number

  • 0000465394

Structure Descriptors

InChI

1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1

InChIKey

ATLJNLYIJOCWJE-CWMZOUAVSA-N

Smiles

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4c6ccc(=O)oc6)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LD50 parenteral 7830ug/kg (7.83mg/kg)   Drugs of the Future. Vol. 12, Pg. 837, 1987.
mouse LD50 intraperitoneal 14mg/kg (14mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 1239, 1982.
mouse LD50 intravenous 4250ug/kg (4.25mg/kg)   Drugs in Japan Vol. 6, Pg. 899, 1982.
mouse LD50 oral 59800mg/kg (59800mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 1239, 1982.
mouse LD50 subcutaneous 104mg/kg (104mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 1239, 1982.
rat LD50 intravenous 2200ug/kg (2.2mg/kg)   Drugs in Japan Vol. 6, Pg. 899, 1982.
rat LD50 parenteral 21mg/kg (21mg/kg)   Drugs of the Future. Vol. 12, Pg. 837, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 155 deg C   EXP
log P (octanol-water) 3.030 (none)   EST
Atmospheric OH Rate Constant 1.08E-10 cm3/molecule-sec 25 EST

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