EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:223401 - 4',5-dihydroxydiclofenac
| Formula | C14H11Cl2NO4 |
| Net Charge | 0 |
| Average Mass | 328.151 |
| Monoisotopic Mass | 327.00651 |
| SMILES | O=C(O)Cc1cc(O)ccc1Nc1c(Cl)cc(O)cc1Cl |
| InChI | InChI=1S/C14H11Cl2NO4/c15-10-5-9(19)6-11(16)14(10)17-12-2-1-8(18)3-7(12)4-13(20)21/h1-3,5-6,17-19H,4H2,(H,20,21) |
| InChIKey | DRZFITWJHHNHAD-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | drug allergen Any drug which causes the onset of an allergic reaction. |
| Application: | drug allergen Any drug which causes the onset of an allergic reaction. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4',5-dihydroxydiclofenac (CHEBI:223401) has functional parent diclofenac (CHEBI:47381) |
| 4',5-dihydroxydiclofenac (CHEBI:223401) has role drug allergen (CHEBI:88188) |
| 4',5-dihydroxydiclofenac (CHEBI:223401) has role drug metabolite (CHEBI:49103) |
| 4',5-dihydroxydiclofenac (CHEBI:223401) is a dichlorobenzene (CHEBI:23697) |
| 4',5-dihydroxydiclofenac (CHEBI:223401) is a monocarboxylic acid (CHEBI:25384) |
| 4',5-dihydroxydiclofenac (CHEBI:223401) is a phenols (CHEBI:33853) |
| 4',5-dihydroxydiclofenac (CHEBI:223401) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| {2-[(2,6-dichloro-4-hydroxyphenyl)amino]-5-hydroxyphenyl}acetic acid |
| Synonyms | Source |
|---|---|
| (2-(2,6-Dichloro-4-hydroxyanilino)-5-hydroxyphenyl)acetic acid | ChemIDplus |
| 4',5-dihydroxy DCF | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4204964 | Reaxys |
| CAS:69002-86-4 | ChemIDplus |
| Citations |
|---|