Trioxsalen

Molecule SVG Image

Properties Simple | Detailed

Formula C14H13O3+
IUPAC Name 2,5,9-trimethylfuro[3,2-g]chromen-7-one
Molecular Mass 229.251 g·mol−1
Heat of Formation -336.5 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 263.19 Å 3
Surface Area 249.35 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry Cs
Synonyms
  • 2',4,8-trimethylpsoralen
  • 2,5,9-trimethyl-7-pyrano[5,6-f]benzofuranone
  • 2,5,9-trimethyl-7h-furo(3,2-g)(1)benzopyran-7-one
  • 2,5,9-trimethyl-7h-furo[3,2-g][1]benzopyran-7-one
  • 2,5,9-trimethyl-7h-furo[3,2-g]chromen-7-one
  • 2,5,9-trimethylfuro[3,2-g]benzopyran-7-one
  • 2,5,9-trimethylpyrano[5,6-f][1]benzoxol-7-one
  • 2,5,9-trimethylpyrano[5,6-f]benzofuran-7-one
  • 4,5′,8-trimethylpsoralen
  • 4,5',8-trimethyl psoralen
  • 4,5',8-trimethylpsoralen
  • 4,5',8-trimethylpsoralene
  • 4,8,5'-trimethylpsoralen
  • 5-benzofuranacrylic acid, 6-hydroxy-.beta.,2,7-trimethyl-, .delta.-lactone
  • 6-hydroxy-beta,2,7-trimethyl-5-benzofuranacrylic acid gamma-lactone
  • 6-hydroxy-beta,2,7-trimethyl-5-benzofuranacrylic acid, delta-lactone
  • 7-oxo-2,5,9-trimethyl-7h-furo(3,2-g)(1)benzopyron
  • 7h-furo(3,2-g)(1)benzopyran-7-one, 2,5,9-trimethyl-
  • 7h-furo[3,2-g][1]benzopyran-7-one, 2,5,9-trimethyl-
  • acon0_000603
  • acon1_000251
  • antipsoriatic
  • benzofuranacrylic acid,6-hydroxy-b,2,7-trimethyl-,
  • bpbio1_000987
  • d01034
  • elder 8011
  • lactone
  • megxm0_000462
  • oprea1_203343
  • sdccgmls-0066609.p001
  • trimethylpsoralen
  • trioxsalen (usp)
  • trioxsalin
  • trioxysalen
  • trioxysalen (jan/inn)
  • trisoralen
CAS Number(s)
  • 3902-71-4
InChIKey FMHHVULEAZTJMA-UHFFFAOYSA-N
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