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Substance Name: Psoralen
RN: 66-97-7
UNII: KTZ7ZCN2EX
InChIKey: ZCCUUQDIBDJBTK-UHFFFAOYSA-N

Note

  • A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking.

Molecular Formula

  • C11-H6-O3

Molecular Weight

  • 186.1654
 

Classification Codes

  • Anthelmintics
  • Anti-Infective Agents
  • Antiparasitic Agents
  • Cross-Linking Reagents
  • Dermatologic Agents
  • Indicators and Reagents
  • Mutation Data
  • Photosensitizing Agents
  • Radiation-Sensitizing Agents
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Names and Synonyms

Name of Substance

  • Ficusin
  • Psoralen

MeSH Heading

  • Ficusin

Synonyms

  • 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, delta-lactone
  • 5-19-04-00445 (Beilstein Handbook Reference)
  • 5-Benzofuranacrylic acid, 6-hydroxy-, delta-lactone
  • 6-Hydroxy-5-benzofuranacrylic acid beta-lactone
  • 7H-Furo(3,2-g)(1)benzopyran-7-one
  • BRN 0152784
  • CCRIS 4343
  • EINECS 200-639-7
  • Ficusin
  • Furo(2',3',7,6)coumarin
  • Furo(3,2-g)-coumarin
  • Furo(4',5',6,7)coumarin
  • Furocoumarin
  • HSDB 3528
  • NSC 404562
  • Psoralen
  • Psoralene
  • Psorline-P
  • UNII-KTZ7ZCN2EX

Systematic Names

  • 7H-Furo(3,2-g)(1)benzopyran-7-one
  • Psoralen

Registry Numbers

CAS Registry Number

  • 66-97-7

FDA UNII

  • KTZ7ZCN2EX

System Generated Number

  • 0000066977

Structure Descriptors

InChI

InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H

InChIKey

ZCCUUQDIBDJBTK-UHFFFAOYSA-N

Smiles

O=C1Oc2cc3occc3cc2C=C1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 163-164 deg C   EXP
log P (octanol-water) 1.67 (none)   EXP
Water Solubility 1930 mg/L 25 EST
Vapor Pressure 2.24E-05 mm Hg 25 EST
Henry's Law Constant 6.77E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.18E-11 cm3/molecule-sec 25 EST

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