Basic information
- CAS
85878-63-3- Standard SMILES
Cc1c2occc2cc2c1oc(=O)c1cnccc12- InChIKey
HUAHUHGFYQDAJK-UHFFFAOYSA-N- Molecular formula
- C15H9NO3
- Average molar mass
- 251.24 g/mol
- Monoisotopic mass
- 251.05824315
Overview
7-Methylpyrido[3,4-c]psoralen is a furanocoumarin.
Names & identifiers
- Preferred name
- 7-Methyl-5H-furo(3',2':6,7)(1)benzopyrano(3,4-c)pyridin-5-one
- IUPAC
- 11-methyl-9,13-dioxa-5-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,11,14,16-heptaen-8-one
- English name
- pyrido(3,4-c)-7-methylpsoralen
- Molecular formula
- C15H9NO3
- Molecular weight
- 0
Names & synonyms
7-Methylpyrido(3,4-c)psoralen85878-63-3Pyrido(3,4-c)-7-methylpsoralen8E3GP5CCH47-methylpyridopsoralen7-Methylpyrido[3,4-c]psoralenNSC-376770DTXSID202351907-Methyl-5H-furo(3',2':6,7)(1)benzopyrano(3,4-c)pyridin-5-one7-Methyl-5H-furo[3',2':6,7][1]benzopyrano[3,4-c]pyridin-5-oneMePyPsPMPSL
Show more names
RefChem:8708967-MPPDTXCID20157681NIOSH/LV15766007-Methylpyrido(3,4-c)furo(3,2-g)coumarinLV1576600011-Methyl-9H-furo(3',2':6,7)(1)benzopyrano(3,4-c)pyridin-9-one9H-Furo(3',2':6,7)(1)benzopyrano(3,4-c)pyridin-9-one, 11-methyl-
Database identifiers
- CAS
85878-63-3- PubChem CID
- 55432
- DTXSID
DTXSID20235190- ChEBI
CHEBI:82493- UNII
- 8E3GP5CCH4
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Boiling point
- 394.39 °C · 394.39°C (rough estimate)
- Density
- 1.2233 · 1.2233 (rough estimate)
- refractive index
- 1.6231 · 1.6231 (estimate)
- FDA UNII
- 8 E3GP5CCH4 · 8E3GP5CCH4
- IARC
- 3 · 3 (Vol. 40, Sup 7) 1987
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen Classification
7-Methylpyrido[3,4-c]psoralen
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 40: (1986) Some Naturally Occurring and Synthetic Food Components, Furocoumarins and Ultraviolet Radiation
1987
1987
Chemistry & industry
Additional notes
DefinitionChEBI: 7-Methylpyrido[3,4-c]psoralen is a furanocoumarin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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