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CHEBI:4913 - etretinate
| Formula | C23H30O3 |
| Net Charge | 0 |
| Average Mass | 354.490 |
| Monoisotopic Mass | 354.21949 |
| SMILES | CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C |
| InChI | InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+ |
| InChIKey | HQMNCQVAMBCHCO-DJRRULDNSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Applications: | 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. antipsoriatic A drug used to treat psoriasis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| etretinate (CHEBI:4913) has role antipsoriatic (CHEBI:50748) |
| etretinate (CHEBI:4913) has role keratolytic drug (CHEBI:50176) |
| etretinate (CHEBI:4913) is a enoate ester (CHEBI:51702) |
| etretinate (CHEBI:4913) is a ethyl ester (CHEBI:23990) |
| etretinate (CHEBI:4913) is a retinoid (CHEBI:26537) |
| IUPAC Name |
|---|
| ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate |
| INNs | Source |
|---|---|
| etretinate | ChemIDplus |
| étrétinate | ChEBI |
| etretinato | ChemIDplus |
| etretinatum | ChemIDplus |
| Synonyms | Source |
|---|---|
| 3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonanetetraenoic acid ethyl ester | ChemIDplus |
| Acitretin related compound b | ChEMBL |
| Ethyl (all-E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate | ChemIDplus |
| Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate | ChemIDplus |
| NSC-297936 | ChEMBL |
| RO 10-9359 | ChEMBL |
| Brand Names | Source |
|---|---|
| Tegison | DrugBank |
| Tigason | DrugBank |
| Manual Xrefs | Databases |
|---|---|
| 1116 | DrugCentral |
| D00316 | KEGG DRUG |
| DB00926 | DrugBank |
| DE2414619 | Patent |
| Etretinate | Wikipedia |
| LMPR01090046 | LIPID MAPS |
| US4105681 | Patent |
| US4215215 | Patent |
| Registry Numbers | Sources |
|---|---|
| Beilstein:2225606 | Beilstein |
| CAS:54350-48-0 | ChemIDplus |
| Citations |
|---|