loading...| Preferred Name |
diclofenac |
| Synonyms |
diclofenacum [2-(2,6-dichloroanilino)phenyl]acetic acid diclofenamic acid Diclofenac diclofenac acid {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid 2-((2,6-dichlorophenyl)amino)benzeneacetic acid diclofenaco diclofenac 2-[(2,6-dichlorophenyl)amino]benzeneacetic acid |
| Definitions |
A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_47381 |
| charge |
0 |
| database_cross_reference |
Patent:NL6604752 PMID:27967303 DrugBank:DB00586 LINCS:LSM-2160 PMID:11322639 PMID:23777257 Drug_Central:865 Patent:US3558690 HMDB:HMDB0014724 PDBeChem:DIF Beilstein:2146636 PMID:7838674 KEGG:C01690 Wikipedia:Diclofenac CAS:15307-86-5 VSDB:1933 Reaxys:2146636 KEGG:D07816 PMID:1502708 |
| formula |
C14H11Cl2NO2 |
| has functional parent | |
| has role |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35544 http://purl.obolibrary.org/obo/CHEBI_35475 http://purl.obolibrary.org/obo/CHEBI_88188 http://purl.obolibrary.org/obo/CHEBI_35493 |
| has_alternative_id |
CHEBI:47380 CHEBI:4507 |
| has_exact_synonym |
Diclofenac {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid 2-[(2,6-dichlorophenyl)amino]benzeneacetic acid |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
diclofenacum [2-(2,6-dichloroanilino)phenyl]acetic acid diclofenamic acid diclofenac acid 2-((2,6-dichlorophenyl)amino)benzeneacetic acid diclofenaco diclofenac |
| id |
CHEBI:47381 |
| in_subset | |
| inchi |
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) |
| inchikey |
DCOPUUMXTXDBNB-UHFFFAOYSA-N |
| is conjugate acid of | |
| label |
diclofenac |
| mass |
296.149 |
| monoisotopicmass |
295.01668 |
| notation |
CHEBI:47381 |
| prefixIRI |
CHEBI:47381 |
| prefLabel |
diclofenac |
| smiles |
C1(Cl)=CC=CC(=C1NC2=CC=CC=C2CC(=O)O)Cl |
| textual definition |
A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25384 http://purl.obolibrary.org/obo/CHEBI_23697 http://purl.obolibrary.org/obo/CHEBI_50995 |