Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Xanthotoxol
RN: 2009-24-7
InChIKey: JWVYQQGERKEAHW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H6-O4

Molecular Weight

  • 202.1644
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Xanthotoxol

Synonyms

  • 5-19-06-00014 (Beilstein Handbook Reference)
  • 6,7-Dihydroxy-5-benzofuranacrylic acid gamma-lactone
  • 8-Hydroxypsoralen
  • 8-Hydroxypsoralene
  • 9-Hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one
  • BRN 0189491
  • EINECS 217-923-1
  • NSC 401269
  • Psoralen, 8-hydroxy-
  • Xanthotoxol (6CI)

Systematic Names

  • 5-Benzofuranacrylic acid, 6,7-dihydroxy-, gamma-lactone (7CI)
  • 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-
  • 9-Hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one

Registry Numbers

CAS Registry Number

  • 2009-24-7

System Generated Number

  • 0002009247

Structure Descriptors

InChI

1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H

InChIKey

JWVYQQGERKEAHW-UHFFFAOYSA-N

Smiles

c1cc(=O)oc2c1cc3ccoc3c2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   Journal of Ethnopharmacology. Vol. 36, Pg. 239, 1992.
mouse LD50 intraperitoneal 468mg/kg (468mg/kg)   Journal of Ethnopharmacology. Vol. 36, Pg. 239, 1992.
rat LD50 oral 480mg/kg (480mg/kg)   Journal of Ethnopharmacology. Vol. 36, Pg. 239, 1992.