etretinate (CHEBI:4913)

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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

Average Mass

354.48250

Monoisotopic Mass

354.21949

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.

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

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

Last Modified

22 February 2017