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Substance Name: Uzarin
RN: 20231-81-6
UNII: 68P16H9S6Y
InChIKey: RIPMDUQTRRLJTE-QHYHXNCWSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C35-H54-O14

Molecular Weight

  • 698.7976
 
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Names and Synonyms

Name of Substance

  • Uzarin

Synonyms

  • EINECS 243-616-7
  • NSC 407809
  • UNII-68P16H9S6Y
  • Uzarigenin + 2-D-glucose
  • Uzarigenin + 2-D-glucose [German]
  • Uzarin
  • Uzarine

Systematic Names

  • (3beta,5alpha)-3-((6-O-beta-D -glucopyranosyl-beta-D -glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
  • 5-alpha-Card-20(22)-enolide, 3-beta-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-14-hydroxy-
  • Card-20(22)-enolide, 3-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-14-hydroxy-, (3beta,5alpha)- (9CI)
  • Uzarin (8CI)

Registry Numbers

CAS Registry Number

  • 20231-81-6

FDA UNII

  • 68P16H9S6Y

System Generated Number

  • 0020231816

Structure Descriptors

InChI

1S/C35H54O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h11,17-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3/t17-,18-,19+,20-,21+,22+,23+,25+,26+,27-,28-,29+,30+,31-,32+,33-,34+,35-/m0/s1

InChIKey

RIPMDUQTRRLJTE-QHYHXNCWSA-N

Smiles

[C@H]12C[C@H](CC[C@]1(C)[C@@H]1[C@@H](CC2)[C@@]2([C@@]([C@@H](C3=CC(=O)OC3)CC2)(CC1)C)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)O)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 4590ug/kg (4.59mg/kg)   "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 194, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 269 deg C   EXP
log P (octanol-water) -1.630 (none)   EST
Atmospheric OH Rate Constant 2.11E-10 cm3/molecule-sec 25 EST

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