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Substance Name: Marinobufagenin
RN: 470-42-8
UNII: 3KBT25GV2B
InChIKey: JMNQTHQLNRILMH-OBBGIPBRSA-N

Note

  • An endogenous digitalis-like factor; a Na(+),K(+)-ATPase inhibitor and cardiotonic agent.

Molecular Formula

  • C24-H32-O5

Molecular Weight

  • 400.5118
 

Classification Codes

  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Vasoconstrictor Agents
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Names and Synonyms

Name of Substance

  • Marinobufagenin

Synonyms

  • 3-beta,5-Dihydroxy-14,15-beta-epoxy-5-beta-bufa-20,22-dienolide
  • MARCINOBUFAGIN
  • Marinobufagin
  • Marinobufogenin
  • NSC 234205
  • UNII-3KBT25GV2B

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 470-42-8

FDA UNII

  • 3KBT25GV2B

System Generated Number

  • 0000470428

Structure Descriptors

InChI

1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3/t15-,16-,17+,18+,19+,21+,22+,23-,24+/m0/s1

InChIKey

JMNQTHQLNRILMH-OBBGIPBRSA-N

Smiles

O1[C@@]23[C@H]1C[C@@H]([C@@]3(CC[C@@H]1[C@@H]2CC[C@@]2([C@@]1(CC[C@@H](C2)O)C)O)C)c1ccc(=O)oc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 unreported 556ug/kg (0.556mg/kg)   Pharmazie in Unserer Zeit. Vol. 13, Pg. 129, 1984.
cat LDLo intravenous 1520ug/kg (1.52mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 3, Pg. 111, 1961.
mouse LD50 intravenous 2730ug/kg (2.73mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 1714, 1976.
mouse LD50 unreported 152ug/kg (0.152mg/kg)   Pharmazie in Unserer Zeit. Vol. 13, Pg. 129, 1984.