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Substance Name: Bufogenin B
RN: 465-19-0
UNII: 0V5L6RJ023
InChIKey: MWFCMSURKYLINK-QDLCSJEJSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C24-H34-O5

Molecular Weight

  • 402.5276
 
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Names and Synonyms

Name of Substance

  • Bufogenin B

Synonyms

  • 16-beta-Hydroxybufalin
  • 3-beta,14,16-beta-Trihydroxy-5-beta-bufa-20,22-dienolide
  • Bufogenin B
  • Desacetylbufotalin
  • UNII-0V5L6RJ023

Systematic Names

  • 5-beta-Bufa-20,22-dienolide, 3-beta,14,16-beta-trihydroxy-
  • Bufa-20,22-dienolide, 3,14,16-trihydroxy-, (3-beta,5-beta,16-beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 465-19-0

FDA UNII

  • 0V5L6RJ023

Other Registry Number

  • 119222-84-3

System Generated Number

  • 0000465190

Structure Descriptors

InChI

1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)21(19(26)12-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19+,21+,22+,23-,24+/m1/s1

InChIKey

MWFCMSURKYLINK-QDLCSJEJSA-N

Smiles

C1[C@@]2([C@@]([C@H](c3ccc(=O)oc3)[C@H]1O)(CC[C@@H]1[C@@H]2CC[C@H]2[C@@]1(CC[C@@H](C2)O)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 263ug/kg (0.263mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 3, Pg. 111, 1961.
dog LDLo intraduodenal 1910ug/kg (1.91mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 973, 1971.
dog LDLo intravenous 580ug/kg (0.58mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 973, 1971.
guinea pig LDLo intraduodenal 29300ug/kg (29.3mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 973, 1971.
guinea pig LDLo intravenous 1060ug/kg (1.06mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 973, 1971.
mouse LD50 intravenous 10ug/kg (0.01mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

BEHAVIORAL: ANTIPSYCHOTIC
Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 1714, 1976.
mouse LD50 oral 24500ug/kg (24.5mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 973, 1971.
mouse LD50 subcutaneous 6950ug/kg (6.95mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 973, 1971.
rabbit LDLo intraduodenal 8960ug/kg (8.96mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 973, 1971.
rabbit LDLo intravenous 1580ug/kg (1.58mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 973, 1971.
rat LDLo intraduodenal 28400ug/kg (28.4mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 973, 1971.
rat LDLo intravenous 2940ug/kg (2.94mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 973, 1971.