Chemical Properties of Trioxsalen (CAS 3902-71-4)

Trioxsalen

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InChI
InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
InChI Key
FMHHVULEAZTJMA-UHFFFAOYSA-N
Formula
C14H12O3
SMILES
Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1
Molecular Weight1
228.24
CAS
3902-71-4
Other Names
  • 2',4,8-Trimethylpsoralen
  • 2,5,9-Trimethyl-7H-furo(3,2-g)(1)benzopyran-7-one
  • 4,5',8-Trimethylpsoralen
  • 4,5',8-Trimethylpsoralene
  • 4,5,8-Trimethylpsoralen
  • 5-Benzofuranacrylic acid, 6-hydroxy-«beta»,2,7-trimethyl-, «delta»-lactone
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 2,5,9-trimethyl-
  • Elder 8011
  • NSC-71047
  • Trimethylpsoralen
  • Trioxalen
  • Trioxsalin
  • Trioxysalen
  • Trisoralen
  • Trixsalen
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 3.464 Crippen Calculated Property
Tfus 508.00 ± 1.00 K NIST

Similar Compounds

7-Hydroxy-4,8-dimethylcoumarin. 2-Isopropylpsoralen. 3,4-Dimethyl-6-tert-butylcoumarin. 2H,5H-Pyrano[4,3-b]pyran-2,5-dione, 4,7-dimethyl-. 6-Tert-butyl-4-methylcoumarin. 2H-Furo[2,3-h]-1-benzopyran-2-one, 8-(1-methylethenyl)-. Coumarin, 4,6-dimethyl-7-(methylamino)-. Coumarin, 7-amino-4-methyl-. Coumarin, 8-acetyl-7-hydroxy-4-methyl-. Chalepensin. 4-Methyl-7-dimethylaminocoumarin. Hymecromone. 7-Amino-4-(methoxymethyl)coumarin. Coumarin, 3-formyl-4-methyl-7-(N,N-diethyl amino)-. 2,3,6-Trimethyl-benzo-[b]-furan.

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