Preferred Name |
etretinate |
|
Synonyms |
ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate 3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonanetetraenoic acid ethyl ester etretinato Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate etretinatum Ethyl (all-E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate etretinate |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_4913 |
|
charge |
0 |
|
database_cross_reference |
Wikipedia:Etretinate CAS:54350-48-0 DrugBank:DB00926 Patent:US4215215 Drug_Central:1116 Patent:US4105681 Patent:DE2414619 Beilstein:2225606 LIPID_MAPS_instance:LMPR01090046 KEGG:D00316 |
|
formula |
C23H30O3 |
|
has role | ||
has_exact_synonym |
ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonanetetraenoic acid ethyl ester etretinato Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate etretinatum Ethyl (all-E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate etretinate |
|
id |
CHEBI:4913 |
|
in_subset | ||
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 |
|
label |
etretinate |
|
mass |
354.48250 |
|
monoisotopicmass |
354.21949 |
|
notation |
CHEBI:4913 |
|
prefLabel |
etretinate |
|
smiles |
CCOC(=O)\C=C(C)\C=C\C=C(C)\C=C\c1c(C)cc(OC)c(C)c1C |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_26537 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26537 |