Molfinder
主页
技术支持
关于我们
数据来源
数据统计
博客
Substance
ID:1824221
Structure
Similarity
Functional Group
Text
ID:208
tolcapone
Chemical Entities of Biological Interest
ID: CHEBI:63630
Names and Identifiers
IUPAC Traditional name
tolcapone
IUPAC name
5-(4-methylbenzoyl)-3-nitrobenzene-1,2-diol
Synonyms
tolcapone
3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone
3,4-dihydroxy-4'-methyl-5-nitrobenzophenone
3,4-dihydroxy-5-nitro-4'-methylbenzophenone
4'-methyl-3,4-dihydroxy-5-nitrobenzophenone
International Nonproprietary Name (INN)
tolcapone
Registration numbers
PubChem CID
4659569
LINCS Database
LSM-5282
PubMed Citation Links
21521027
20381177
20502133
22136163
Reaxys Registry
8151577
ACToR Database
134308-13-7
BKMS React Database
23408
BRENDA Database
2.1.1.6
2.7.11.18
2.4.1.17
BRENDA Ligand Database
23408
CHEMBL
CHEMBL1324
CompTox Database
DTXSID3023685
MetaboLights Database
MTBLS804
MTBLS2406
MTBLS2096
Protein Data Bank
3s68
4d7b
4pyl
5a6i
6txv
6txw
6xtk
SureChEMBL Database
SCHEMBL33869
Wikipedia Title
Tolcapone
NMRShiftDB Database
10021705
Patent number
EP237929
US5236952
DrugBank ID
DB00323
Drug Central Database
2,697
BindingDB Database
50108877
KEGG DRUG Database
D00786
CHEBI ID
CHEBI:63630
CHEBI:9617
PubChem SID
135610139
Properties
No Data Available
Click here to submit data
Molecule Details
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.
Molecular Spectra
No Data Available
Click here to submit data
References
No Data Available
Click here to submit data
Quote
Download
Navigation
General Information
Names and Identifiers
Registration numbers
Properties
Molecule Details
Molecular Spectra
References