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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_63630
http://purl.obolibrary.org/obo/CHEBI_63630
|
|---|---|
| Preferred Name | tolcapone |
| Synonyms |
(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone
3,4-dihydroxy-5-nitro-4'-methylbenzophenone
4'-methyl-3,4-dihydroxy-5-nitrobenzophenone
3,4-dihydroxy-4'-methyl-5-nitrobenzophenone
5-[(4-methylphenyl)carbonyl]-3-nitrobenzene-1,2-diol
3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone
C14H11NO5
tolcapone
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | tolcapone
|
|---|---|
| label | tolcapone
|
| ATCCode | N04BX01
|
| 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.
|
| altId | CHEBI:9617
|
| has effect |
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| has pharmacological target | |
| inhibits | |
| type | |
| has role | |
| InChIKey | InChIKey=MIQPIUSUKVNLNT-UHFFFAOYSA-N
|
| Synonym |
(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone
3,4-dihydroxy-5-nitro-4'-methylbenzophenone
4'-methyl-3,4-dihydroxy-5-nitrobenzophenone
3,4-dihydroxy-4'-methyl-5-nitrobenzophenone
5-[(4-methylphenyl)carbonyl]-3-nitrobenzene-1,2-diol
3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone
C14H11NO5
tolcapone
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|
| xref |
CiteXplore:20502133
ChemSpider:3848682
Wikipedia:http://en.wikipedia.org/wiki/Tolcapone
RxList:http://www.rxlist.com/cgi/generic3/tolcapone.htm
CiteXplore:20381177
Patent:US5236952
Patent:EP237929
PubChem Compound:4659569
National Drug Code Directory:0187-0938-01
DrugBank:DB00323
PharmGKB:PA451720
Drugs.com:http://www.drugs.com/cdi/tolcapone.html
Drugs Product Database (DPD):2235914
CiteXplore:21521027
ChEMBL:367825
PDRhealth:http://www.pdrhealth.com/drug_info/rxdrugprofiles/drugs/tas1426.shtml
Reaxys:8151577
KEGG DRUG:D00786
BindingDB:50108877
CiteXplore:22136163
PubChem Substance:46504932
Wikipedia:Tolcapone
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|
| CASRN | 134308-13-7
|
| prefixIRI | obo2:CHEBI_63630
|
| SMILES |
CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(O)=C1)[N+]([O-])=O
Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
|
| DBname | tolcapone
|
| 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
|
| DBBrand | tasmar
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |