API reference
Tolcapone
- CAS number
- 134308-13-7
- Molecular formula
- C14H11NO5
- Molecular weight
- 273.24 g/mol
About this molecule
Tolcapone is a benzophenone derivative and a catechol-O-methyltransferase (COMT) inhibitor. Tolcapone selectively and reversibly inhibits COMT, an enzyme that catalyzes the metabolism of biologically active catechols and their hydroxylated metabolites by transferring the methyl group of S-adenosyl-L-methionine to the phenolic group of catechol-containing substrates. When given in conjunction with a peripheral dopa decarboxylase inhibitor and levodopa, tolcapone may prevent the metabolism of levodopa to 3-methoxy-4-hydroxy- L-phenylalanine (3-OMD) in the brain and peripheral tissues leading to increased bioavailability and enhancement of delivery to the central nervous system (CNS) of levodopa.
Source: NCI Thesaurus (NCIt), via PubChem.
Identifiers
- IUPAC name
- (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone
- InChIKey
- MIQPIUSUKVNLNT-UHFFFAOYSA-N
- SMILES
- CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
- PubChem CID
- 4659569
Also known as
Tolcapone · Tasmar · 3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone · (3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone · (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone · Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)- · Tolcapona · 5-(4-methylbenzoyl)-3-nitrobenzene-1,2-diol
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