CHEBI:4913 - etretinate

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ChEBI Name etretinate
ChEBI ID CHEBI:4913
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H30O3
Net Charge 0
Average Mass 354.48250
Monoisotopic Mass 354.219
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
SMILES CCOC(=O)\C=C(C)\C=C\C=C(C)\C=C\c1c(C)cc(OC)c(C)c1C
Roles Classification
Application(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
étrétinate ChEBI
etretinate ChemIDplus
etretinato ChemIDplus
etretinatum ChemIDplus
Synonyms Sources
3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonanetetraenoic acid ethyl ester ChemIDplus
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
Brand Names Sources
Tegison Deprecated term DrugBank
Tigason Deprecated term DrugBank
Manual Xrefs Databases
1116 DrugCentral
D00316 KEGG DRUG
DB00926 DrugBank
DE2414619 Patent
Etretinate Wikipedia
LMPR01090046 LIPID MAPS
US4105681 Patent
US4215215 Patent
View more database links
Registry Numbers Types Sources
2225606 Beilstein Registry Number Beilstein
54350-48-0 CAS Registry Number ChemIDplus
Last Modified
22 February 2017