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CHEBI:50173 - all-trans-acitretin
| Formula | C21H26O3 |
| Net Charge | 0 |
| Average Mass | 326.436 |
| Monoisotopic Mass | 326.18819 |
| SMILES | COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C |
| InChI | InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+ |
| InChIKey | IHUNBGSDBOWDMA-AQFIFDHZSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Application: | keratolytic drug A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| all-trans-acitretin (CHEBI:50173) has role keratolytic drug (CHEBI:50176) |
| all-trans-acitretin (CHEBI:50173) is a acitretin (CHEBI:50172) |
| all-trans-acitretin (CHEBI:50173) is a retinoid (CHEBI:26537) |
| all-trans-acitretin (CHEBI:50173) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| IUPAC Name |
|---|
| (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid |
| INN | Source |
|---|---|
| acitretin | KEGG DRUG |
| Synonyms | Source |
|---|---|
| Acitretina | ChemIDplus |
| Acitretine | ChemIDplus |
| Acitretinum | ChemIDplus |
| (all-E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid | ChemIDplus |
| all-trans-3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonatetraenoic acid | ChemIDplus |
| Etretin | ChemIDplus |
| Brand Names | Source |
|---|---|
| Neotigason | ChEBI |
| Soriatane | DrugBank |