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Substance Name: Oleandrin
RN: 465-16-7
UNII: II95UDU7I4
InChIKey: JLPDBLFIVFSOCC-XYXFTTADSA-N

Molecular Formula

  • C32-H48-O9

Molecular Weight

  • 576.7222
 
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Names and Synonyms

Name of Substance

  • Oleandrin

Synonyms

  • 16beta-(Acetyloxy)-3beta-((2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyl)oxy)-14-hydroxycard-20-(22)-enolide
  • Card-20(22)-enolide, 16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta,16beta)-
  • Corrigen
  • EINECS 207-361-5
  • Foliandrin
  • Folinerin
  • HSDB 3518
  • Neriol
  • Neriolin
  • Neriostene
  • NSC 692219
  • Oleandrin
  • Oleandrina
  • Oleandrina [Spanish]
  • Oleandrine
  • UNII-II95UDU7I4

Systematic Names

  • (3beta,16beta)-16-(Acetyloxy)-3-((2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyl)oxy)-14-hydroxy card-20(22)-enolide
  • 16beta-Acetoxy-3beta-(2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyloxy)-14-hydroxycard-20(22)-enolide
  • Card-20(22)-enolide, 16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-

Registry Numbers

CAS Registry Number

  • 465-16-7

FDA UNII

  • II95UDU7I4

Other Registry Numbers

  • 28933-01-9
  • 53177-88-1
  • 53812-90-1

System Generated Number

  • 0000465167

Structure Descriptors

InChI

1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1

InChIKey

JLPDBLFIVFSOCC-XYXFTTADSA-N

Smiles

CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 248ug/kg (0.248mg/kg)   Farmacognosia. Vol. 13, Pg. 375, 1953.
cat LDLo unreported 240ug/kg (0.24mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 104, 1963.
frog LDLo subcutaneous 2250ug/kg (2.25mg/kg)   "Handbuch der Experimentellen Pharmakologie," Heffter, A., Berlin, Verlag von Julius Springer. V.1-3, 1920-35. For publisher information, see HEPHD2.Vol. E, Pg. 1, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.53 (none)   EXP
Water Solubility 2.680 mg/L 25 EST
Vapor Pressure 3.61E-19 mm Hg 25 EST
Henry's Law Constant 2.06E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.40E-10 cm3/molecule-sec 25 EST

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