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CHEBI:59613 - 4'-hydroxydiclofenac
| Formula | C14H11Cl2NO3 |
| Net Charge | 0 |
| Average Mass | 312.152 |
| Monoisotopic Mass | 311.01160 |
| SMILES | O=C(O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl |
| InChI | InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20) |
| InChIKey | KGVXVPRLBMWZLG-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: | allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4'-hydroxydiclofenac (CHEBI:59613) has functional parent diclofenac (CHEBI:47381) |
| 4'-hydroxydiclofenac (CHEBI:59613) has role allergen (CHEBI:50904) |
| 4'-hydroxydiclofenac (CHEBI:59613) has role drug metabolite (CHEBI:49103) |
| 4'-hydroxydiclofenac (CHEBI:59613) is a dichlorobenzene (CHEBI:23697) |
| 4'-hydroxydiclofenac (CHEBI:59613) is a monocarboxylic acid (CHEBI:25384) |
| 4'-hydroxydiclofenac (CHEBI:59613) is a phenols (CHEBI:33853) |
| 4'-hydroxydiclofenac (CHEBI:59613) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| {2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenyl}acetic acid |
| Synonyms | Source |
|---|---|
| 4'-hydroxy diclofenac | ChEBI |
| (o-(2,6-Dichloro-4-hydroxyanilino)phenyl)acetic acid | ChemIDplus |
| 4'-OH DCF | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4198042 | Reaxys |
| CAS:64118-84-9 | ChemIDplus |
| Citations |
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