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Substance Name: Scillarenin
RN: 465-22-5
UNII: XIA96RSL6E
InChIKey: OVUOVMIMOCJILI-KFZANIOBSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C24-H32-O4

Molecular Weight

  • 384.5128
 
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Names and Synonyms

Name of Substance

  • Scillarenin

Synonyms

  • 3-beta,14-Dihydroxybufa-4,20,22-trienolide
  • 3beta-Scillarenin
  • beta-Scillarenin
  • Bufa-4,20,22-trienolide, 3,14-dihydroxy-, (3-beta)-
  • Cardiogenin
  • NSC 234669
  • Scillarenin
  • Scillarenin A
  • Scillarenine
  • Transvaalin aglycon
  • UNII-XIA96RSL6E

Systematic Names

  • Bufa-4,20,22-trienolide, 3,14-dihydroxy-, (3beta)- (9CI)
  • Bufa-4,20,22-trienolide, 3-beta,14-dihydroxy-
  • Bufa-4,20,22-trienolide, 3beta,14-dihydroxy- (8CI)

Registry Numbers

CAS Registry Number

  • 465-22-5

FDA UNII

  • XIA96RSL6E

Other Registry Number

  • 367511-16-8

System Generated Number

  • 0000465225

Structure Descriptors

InChI

1S/C24H32O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,13-14,17-20,25,27H,4-5,7-12H2,1-2H3/t17-,18+,19-,20+,22-,23+,24-/m0/s1

InChIKey

OVUOVMIMOCJILI-KFZANIOBSA-N

Smiles

C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2c4ccc(=O)oc4)O)CCC5=C[C@H](CC[C@]35C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 157ug/kg (0.157mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 111, Pg. 365, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 235 deg C   EXP
log P (octanol-water) 3.330 (none)   EST
Atmospheric OH Rate Constant 1.91E-10 cm3/molecule-sec 25 EST

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