Methoxsalen

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Systematic / IUPAC Name: 9-Methoxy-7H-furo[3,2-g]chromen-7-one

ID: Reference1342

Other Names: 8-Methoxypsoralene;
8-Methoxyfuranocoumarin;
Methoxy-8-psoralen;
7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-;
O-Methylxanthotoxol ; more

Formula: C12H8O4

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Natural Products/Medicines

Spectral Data

Methoxsalen mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 1370
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 2/20/2015 2:00:19 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChI Key QXKHYNVANLEOEG-UHFFFAOYSA-N
Canonical SMILES COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
CAS 298817
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Other Names 8-Methoxypsoralene;
8-Methoxyfuranocoumarin;
Methoxy-8-psoralen;
7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-;
O-Methylxanthotoxol;
9-Methoxyfuro[3,2-g][1]benzopyran-7-one;
6-Hydroxy-7-methoxy-5-benzofuranacrylic acid δ-lactone;
5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, δ-lactone;
Xanthotoxin;
Ammoidin;
Meladinine;
Oxsoralen;
Oxypsoralen;
Meloxine;
Puvalen;
Meladinin;
Ammodin;
Uvadex;
Meladoxen;
Xanthotoxine;
Geroxalen;
Methoxalen;
Puvamet;
Deltasoralen;
Zanthotoxin;
Oxoralen;
Proralone;
Psoralen;
Psoralon;
Dltasoralen;
Methoxaten;
Metoxaleno;
Ultramop lotion;
7-Furocoumarin;
Methoxsalen, 8-;
Ultramop;
Dermox

In Other Databases

KEGG C01864; D00139
ChemSpider 3971
ChEMBL CHEMBL416
Wikipedia Methoxsalen
HMDb HMDB14693
DrugBank APRD00157
ChemIDPlus 000298817
ChEBI CHEBI:18358
PubChem 4114