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CHEBI:177597 - Fispemifene

ChEBI IDCHEBI:177597
ChEBI NameFispemifene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H27ClO3
Net Charge0
Average Mass422.952
Monoisotopic Mass422.16487
SMILESOCCOCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H27ClO3/c27-16-15-25(21-7-3-1-4-8-21)26(22-9-5-2-6-10-22)23-11-13-24(14-12-23)30-20-19-29-18-17-28/h1-14,28H,15-20H2/b26-25-
InChIKeyNKZTZAQIKKGTDB-QPLCGJKRSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Fispemifene (CHEBI:177597) is a stilbenoid (CHEBI:26776)
IUPAC Name 
2-[2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethoxy]ethanol
Manual XrefsDatabases
D10008KEGG DRUG
8129643ChemSpider
DB06640DrugBank
Registry NumbersSources
CAS:341524-89-8ChemIDplus