Psoralen

  • Identifiers

    CAS mumber
    66-97-7

    Molecular formula
    C11H6O3

    SMILES
    C1=CC(=O)OC2=CC3=C(C=CO3)C=C21

  • Properties

    XLogP3-AA
    2.3 Well soluble in DEP, BB, MMB

    Molecular weight
    186.16 g/mol

    Melting points

    • 171 °C
    • 171 °C

    Boiling points

    • 362.00 to 363.00 °C. @ 760.00 mm Hg

    Solubilities

    • In water, 65.16 mg/L at 25 °C

  • Synonyms

    • Psoralen
    • 66-97-7
    • Ficusin
    • 7H-Furo[3,2-g]chromen-7-one
    • Furocoumarin
    • Psoralene
    • 7H-Furo[3,2-g][1]benzopyran-7-one
    • Psorline-P
    • furo[3,2-g]chromen-7-one
    • 6,7-Furanocoumarin
    • Furo(3,2-g)-coumarin
    • Furo(2',3',7,6)coumarin
    • Furo(4',5',6,7)coumarin
    • Furo[3,2-g]coumarin
    • NSC 404562
    • CCRIS 4343
    • Manaderm
    • Furo[2',3':7,6]coumarin
    • Furo[4',5':6,7]coumarin
    • KTZ7ZCN2EX
    • UNII-KTZ7ZCN2EX
    • 7H-Furo(3,2-g)(1)benzopyran-7-one
    • HSDB 3528
    • 7H-Furo[3,2-g]benzopyran-7-one
    • EINECS 200-639-7
    • 6-Hydroxy-5-benzofuranacrylic acid beta-lactone
    • NSC-404562
    • BRN 0152784
    • Furo[2'.3':7.6]coumarin
    • 5-Benzofuranacrylic acid, 6-hydroxy-, delta-lactone
    • CHEBI:27616
    • MFCD00010520
    • 6-hydroxy-5-benzofuranacrylic acid delta-lactone
    • CHEMBL164660
    • 2H-furo[3,2-g]chromen-2-one
    • 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, delta-lactone
    • DTXSID00216205
    • 6-hydroxy-5-benzofuranacrylic acid gamma-lactone
    • 5-19-04-00445 (Beilstein Handbook Reference)
    • TNP00293
    • Psoralen (Ficusin)
    • 3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone
    • PSORALEN (USP-RS)
    • PSORALEN [USP-RS]
    • furo(2',3':7,6)coumarin
    • furo(4',5':6,7)coumarin
    • 7H-Furo(3,2-g)chromen-7-one
    • C11H6O3
    • furo
    • furano[3,2-g]chromen-2-one
    • Psoralene (DCF)
    • Manaderm (TN)
    • Psoralen (Standard)
    • Psoralen, 97%
    • Furo[4',7]coumarin
    • PHYTOALEXIN-CMPD
    • PSORALEN [HSDB]
    • PSORALEN [MI]
    • PSORALEN [WHO-DD]
    • Oprea1_841692
    • SCHEMBL17835
    • Psoralen, analytical standard
    • MLS001304059
    • MEGxp0_001172
    • Psoralen, >=99% (HPLC)
    • ACon1_001579
    • HY-N0053R
    • pyrano[5,6-f]benzofuran-7-one
    • DTXCID60138696
    • HMS2267L05
    • BCP04177
    • HY-N0053
    • 7H-Furo[3,2-g]chromen-7-one #
    • BDBM50331544
    • NSC404562
    • s4737
    • STL564822
    • AKOS004110987
    • AC-7968
    • CCG-266472
    • CS-3756
    • FP15273
    • FURO(2',3':7',6)COUMARIN
    • NCGC00017351-01
    • NCGC00017351-02
    • NCGC00017351-03
    • NCGC00017351-07
    • NCGC00142529-01
    • AS-59034
    • SMR000112587
    • NS00015842
    • P2077
    • 7H-Furo[3,2-g][1]benzopyran-7-one, 9CI
    • 6-hydroxy-5-benzofuranacrylic Acid deta-lacton
    • C09305
    • D08450
    • AA-504/20833002
    • AJ-738/21166005
    • Q417788
    • BRD-K47264279-001-01-4
    • BRD-K47264279-001-08-9
    • 5-Benzofuranacrylic acid, 6-hydroxy-, .delta.-lactone
    • Z1201617131
    • 6-HYDROXY-5-BENZOFURANACRYLIC ACID .DELTA.-LACTONE
    • 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, .delta.-lactone
    • InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6
    • 200-639-7
1 3

Botanical

Name CAS Botanical Proportion
Rue (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 1.28%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 1.1%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.55%
Parsley leaf (Germany), 1b (smooth leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 3.2%
Parsley leaf (Germany), 1a (curly leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.05%