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CHEBI:50173 - all-trans-acitretin

ChEBI IDCHEBI:50173
ChEBI Nameall-trans-acitretin
Stars
ASCII Nameall-trans-acitretin
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC21H26O3
Net Charge0
Average Mass326.436
Monoisotopic Mass326.18819
SMILESCOc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C
InChIInChI=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+
InChIKeyIHUNBGSDBOWDMA-AQFIFDHZSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
INN  Source
acitretinKEGG DRUG
Synonyms  Source
Acitretina  esChemIDplus
Acitretine  frChemIDplus
Acitretinum  laChemIDplus
all-trans-3,7-Dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-2,4,6,8-nonatetraenoic acidChemIDplus
EtretinChemIDplus
(all-E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acidChemIDplus
Brand Names  Source
NeotigasonChEBI
SoriataneDrugBank
Manual XrefsDatabases
D02754KEGG DRUG
DB00459DrugBank
DE2414619Patent
US4105681Patent
AcitretinWikipedia
78DrugCentral
Registry NumbersSources
Beilstein:2458933Beilstein
CAS:55079-83-9ChemIDplus