PubChem CID | 4114 |
Molecular Formula | C12H8O4 |
Structure |
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Synonyms |
methoxsalen
8-Methoxypsoralen 298-81-7 XANTHOTOXIN Meladinine Oxypsoralen 8-MOP 9-Methoxy-7H-furo[3,2-g]chromen-7-one Oxsoralen Xanthotoxine Ammoidin Puvalen Meladinin Meloxine Uvadex Meladoxen Ammodin 8-Methoxypsoralene Methoxa-Dome New-Meladinin Zanthotoxin Puvamet Oxsoralen-ultra 9-Methoxypsoralen Geroxalen Methoxalen Oxsoralen lotion Psoralon-MOP 8-Methoxyfuranocoumarin Proralone-mop 8-MP O-methylxanthotoxol Vitpso Ultra Mop 9-methoxyfuro[3,2-g]chromen-7-one 8-Methoxy-2',3',6,7-furocoumarin 9-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one NCI-C55903 Methoxsalene Metoxalen Metoxaleno 8-methoxsalen 8-Methoxy-4',5',6,7-furocoumarin 7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy- 7-Furocoumarin Methoxy-8-psoralen NSC45923 6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone NSC 45923 8-Methoxy-4',5':6,7-furocoumarin CCRIS 2083 HSDB 2505 UNII-U4VJ29L7BQ 8-Methoxy-(furano-3'.2':6.7-coumarin) 8-Methoxy-[furano-3'.2':6.7-coumarin] EINECS 206-066-9 U4VJ29L7BQ 8-methoxy psoralen NSC-45923 9-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one BRN 0196453 DTXSID8020830 7H-Furo(3,2-G)(1)benzopyran-7-one, 9-methoxy- CHEBI:18358 Methoxsalen (Oxsoralen) 9-Methoxy-7H-furo(3,2-g)benzopyran-7-one SM-88 COMPONENT METHOXSALEN MFCD00005009 9-Methoxyfuro(3,2-g)chromen-7-one 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone CHEMBL416 Oxsoralen Ultra DTXCID40830 Methoxsalen [USP:BAN:JAN] 8-Methoxy-6,7-furanocoumarin 9-(methyloxy)-7H-furo[3,2-g]chromen-7-one Psoralen-mop 5-19-06-00015 (Beilstein Handbook Reference) 9-METHOXY-2H-FURO[3,2-G]CHROMEN-2-ONE Meladinin (VAN) NCGC00016418-07 CAS-298-81-7 Methoxaten Oxoralen METHOXSALEN (IARC) METHOXSALEN [IARC] 8 Methoxypsoralen METHOXSALEN (MART.) METHOXSALEN [MART.] METHOXSALEN (USP-RS) METHOXSALEN [USP-RS] Methoxsalen (USP:BAN:JAN) 1246819-63-5 Deltapsoralen Dltasoralen METHOXSALEN (USP MONOGRAPH) METHOXSALEN [USP MONOGRAPH] Methoxsalen, 8- SMR000071170 9-methoxy-7H-furo(3,2-g)chromen-7-one 8-Methoxypsoralen with ultraviolet A therapy OXSORALEN (TN) SR-01000629727 Methoxsalen plus ultraviolet radiation methoxypsoralen Mopsoralen Puvasoralen Oxoralen-Ultra 9-Methoxyfuro[3,2-g][1]benzopyran-7-one Prestwick_661 9-methoxyfurano[3,2-g]chromen-2-one Spectrum_001023 ST041029 8-Methoxy(furano-3'.2':6.7-coumarin) METHOXSALEN [MI] Prestwick0_000479 Prestwick1_000479 Prestwick2_000479 Prestwick3_000479 Spectrum2_001052 Spectrum3_000499 Spectrum4_000052 Spectrum5_001891 METHOXSALEN [JAN] UVADEX (TN) Xanthotoxin (Methoxsalen) X0009 METHOXSALEN [HSDB] Methoxsalen (JP17/USP) METHOXSALEN [VANDF] 8-MOP;Xanthotoxin;Ammoidin 7H-Furo[3, 9-methoxy- Oprea1_166319 SCHEMBL19168 BSPBio_000618 BSPBio_001997 KBioGR_000543 KBioSS_001503 METHOXSALEN [WHO-DD] 8MO MLS000062633 MLS002303011 DivK1c_000763 SPECTRUM1500400 SPBio_001004 SPBio_002557 BPBio1_000680 MEGxp0_000095 Xanthotoxin, analytical standard Methoxsalen (8-Methoxypsoralen) ACon1_000174 GTPL12457 HMS502G05 KBio1_000763 KBio2_001503 KBio2_004071 KBio2_006639 KBio3_001497 METHOXSALEN [ORANGE BOOK] 8-Methoxy-2',6,7-furocoumarin 8-Methoxy-4',6,7-furocoumarin NINDS_000763 HMS1569O20 HMS1920N05 HMS2091D20 HMS2096O20 HMS2269P03 HMS3259L13 HMS3655B05 HMS3884K16 Pharmakon1600-01500400 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone BCP28212 Tox21_110432 Tox21_201767 Tox21_302816 8-Methoxypsoralen;Xanthotoxin;8-MOP BDBM50041234 CCG-36366 NSC757114 s1952 STK735539 WLN: T C566 DO LVOJ BO1 8-Methoxypsoralen, analytical standard AKOS000277012 Tox21_110432_1 9-Methoxy-furo[3,2-g]chromen-7-one AC-4259 AM84906 CS-1983 DB00553 DS-5159 NC00652 NSC-757114 SDCCGMLS-0042377.P002 IDI1_000763 8-methoxy-2'',3'',6,7-furocoumarin 8-methoxy-4'',5'':6,7-furocoumarin NCGC00016418-01 NCGC00016418-02 NCGC00016418-03 NCGC00016418-04 NCGC00016418-05 NCGC00016418-06 NCGC00016418-08 NCGC00016418-09 NCGC00016418-10 NCGC00016418-11 NCGC00016418-12 NCGC00016418-14 NCGC00016418-15 NCGC00060938-02 NCGC00060938-03 NCGC00060938-04 NCGC00060938-05 NCGC00060938-06 NCGC00178871-01 NCGC00178871-02 NCGC00178871-03 NCGC00256435-01 NCGC00259316-01 HY-30151 NCI60_004085 8-Methoxy(furano-3',2':6,7-coumarin) SBI-0051443.P003 NS00004875 SW167762-4 8-methoxy-[furano-3''.2'':6.7-coumarin] 9-Methoxy-7H-furo[3,2-g]chromen-7-one # EN300-52504 C01864 D00139 AB00052042-14 AB00052042-15 AB00052042_16 AB00052042_17 A820092 Q408570 Q-100381 SR-01000629727-2 SR-01000629727-4 BRD-K63430059-001-03-2 BRD-K63430059-001-06-5 BRD-K63430059-001-09-9 BRD-K63430059-001-16-4 BRD-K63430059-001-17-2 Z754918916 Methoxsalen, United States Pharmacopeia (USP) Reference Standard 5-BENZOFURANACRYLIC ACIDE, 6-HYDROXY-7-METHOXY-, DELTA-LACTONE 12692-94-3 |
IUPAC Name | 9-methoxyfuro[3,2-g]chromen-7-one |
SMILES | COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 |
Canonical SMILES | COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 |
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 |
InChIKey | QXKHYNVANLEOEG-UHFFFAOYSA-N |
Molecular Weight | 216.19 g/mol |
XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 216.042 |
Monoisotopic Mass | 216.042 |
Topological Polar Surface Area | 48.7 |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 325 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |