loading...| Preferred Name |
tolcapone |
|
| Synonyms |
3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone 3,4-dihydroxy-5-nitro-4'-methylbenzophenone 4'-methyl-3,4-dihydroxy-5-nitrobenzophenone 3,4-dihydroxy-4'-methyl-5-nitrobenzophenone tolcapone (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone |
|
| Definitions |
Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63630 |
|
| alternative term |
3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone 3,4-dihydroxy-5-nitro-4'-methylbenzophenone 4'-methyl-3,4-dihydroxy-5-nitrobenzophenone 3,4-dihydroxy-4'-methyl-5-nitrobenzophenone tolcapone (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone |
|
| bearer_of | ||
| charge |
0 |
|
| database_cross_reference |
PMID:21521027 Patent:US5236952 PMID:20502133 Drug_Central:2697 DrugBank:DB00323 PMID:20381177 Reaxys:8151577 Wikipedia:Tolcapone LINCS:LSM-5282 Patent:EP237929 PMID:22136163 KEGG:D00786 |
|
| formula |
C14H11NO5 |
|
| has role | ||
| has_alternative_id |
CHEBI:9617 |
|
| has_exact_synonym |
(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone 3,4-dihydroxy-5-nitro-4'-methylbenzophenone 4'-methyl-3,4-dihydroxy-5-nitrobenzophenone 3,4-dihydroxy-4'-methyl-5-nitrobenzophenone tolcapone |
|
| has_RxCUI |
72937 |
|
| id |
CHEBI:63630 |
|
| in_subset | ||
| inchi |
InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 |
|
| inchikey |
MIQPIUSUKVNLNT-UHFFFAOYSA-N |
|
| label |
tolcapone |
|
| mass |
273.24080 |
|
| monoisotopicmass |
273.06372 |
|
| notation |
CHEBI:63630 |
|
| prefixIRI |
CHEBI:63630 |
|
| prefLabel |
tolcapone |
|
| smiles |
Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O |
|
| textual definition |
Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_86421 |