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Substance Name: Gamabufotalin
RN: 465-11-2
UNII: 5HH3KM165O
InChIKey: FMTLOAVOGWSPEF-KJRPADTMSA-N

Note

  • Antiangiogenic, main active compound isolated from Chinese medicine Chansu.

Classification Code

  • Natural Product

Molecular Formula

  • C24-H34-O5

Molecular Weight

  • 402.5276
 
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Names and Synonyms

Name of Substance

  • Gamabufotalin

Synonyms

  • 3-beta,11-alpha,14-Trihydroxy-5-beta-bufa-20,22-dienolide
  • Gamabufagin
  • Gamabufogenin
  • Gamabufotalin
  • Gammabufotalin
  • NSC 90384
  • UNII-5HH3KM165O

Systematic Names

  • 5-beta-Bufa-20,22-dienolide, 3-beta,11-alpha,14-trihydroxy-
  • 5beta-Bufa-20,22-dienolide, 3beta,11alpha,14-trihydroxy- (8CI)
  • Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3-beta,5-beta,11-alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 465-11-2

FDA UNII

  • 5HH3KM165O

System Generated Number

  • 0000465112

Structure Descriptors

InChI

1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(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

FMTLOAVOGWSPEF-KJRPADTMSA-N

Smiles

C1[C@@]2([C@@]([C@@H]3[C@@H]([C@@]4([C@@H](C[C@@H](O)CC4)CC3)C)[C@@H]1O)(CC[C@@H]2c1ccc(=O)oc1)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 100ug/kg (0.1mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 191, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 254 deg C   EXP
log P (octanol-water) 1.880 (none)   EST
Atmospheric OH Rate Constant 1.20E-10 cm3/molecule-sec 25 EST

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