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CHEBI:59612 - 5-hydroxydiclofenac
| Formula | C14H11Cl2NO3 |
| Net Charge | 0 |
| Average Mass | 312.152 |
| Monoisotopic Mass | 311.01160 |
| SMILES | O=C(O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl |
| InChI | InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20) |
| InChIKey | VNQURRWYKFZKJZ-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) |
| 5-hydroxydiclofenac (CHEBI:59612) has functional parent diclofenac (CHEBI:47381) |
| 5-hydroxydiclofenac (CHEBI:59612) has role allergen (CHEBI:50904) |
| 5-hydroxydiclofenac (CHEBI:59612) has role drug metabolite (CHEBI:49103) |
| 5-hydroxydiclofenac (CHEBI:59612) is a dichlorobenzene (CHEBI:23697) |
| 5-hydroxydiclofenac (CHEBI:59612) is a monocarboxylic acid (CHEBI:25384) |
| 5-hydroxydiclofenac (CHEBI:59612) is a phenols (CHEBI:33853) |
| 5-hydroxydiclofenac (CHEBI:59612) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| {2-[(2,6-dichlorophenyl)amino]-5-hydroxyphenyl}acetic acid |
| Synonyms | Source |
|---|---|
| 5-hydroxy diclofenac | ChEBI |
| 2-[(2,6-Dichloroanilino)-5-hydroxyphenyl]acetic acid | ChemIDplus |
| 5-OH DCF | ChEBI |
| 5-OH-DCF | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4199419 | Reaxys |
| CAS:69002-84-2 | ChemIDplus |
| Citations |
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