5-Methoxypsoralen
5_methoxypsoralen synonyms
Psoraderm; 5-Methoxy psoralen; Bergaptan; Heraclin; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone; O-Methylbergaptol; Bergaptene; Bergapten; 5-Methoxypsoralen with ultraviolet A therapy; Majudin
Graphical representations:
View large 3D structure
Molecular Formula: C12H8O4
Natural Isotopic Abundance Mass: 216.18952
Mono-Isotopic Molecular Masses:
- C12N14: 216.0422587452
- C13N14: 228.0825167988
- C12N15: 216.0422587452
- C13N15: 228.0825167988
InChI string: InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
PubChem Compound (CID): 2355CAS Registry number: 484-20-8
MMCD: cq_01015
CAS Registry number: 484-20-8
EPA DSSTox: 33110
HSDB: 3466
ChemIDplus: 000484208
EINECS: 207-604-5
CCRIS: 4348
KEGG Compound ID: D07521
Beilstein Handbook Reference: 5-19-06-00004
NCGC: NCGC00091582-03
NIST: 2826565713
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)