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CHEBI:63825 - tamoxifen N-oxide

ChEBI IDCHEBI:63825
ChEBI Nametamoxifen N-oxide
Stars
ASCII Nametamoxifen N-oxide
DefinitionA tertiary amine oxide resulting from the formal oxidation of the amino group of tamoxifen.
Last Modified1 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC26H29NO2
Net Charge0
Average Mass387.523
Monoisotopic Mass387.21983
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)[O-])cc1)c1ccccc1
InChIInChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-
InChIKeyYAASNACECBQAFW-QPLCGJKRSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
anti-estrogen  A drug which acts to reduce estrogenic activity in the body, either by reducing the amount of estrogen or by reducing the activity of whatever estrogen is present.
ChEBI Ontology
Outgoing Relation(s)
tamoxifen N-oxide (CHEBI:63825) has functional parent tamoxifen (CHEBI:41774)
tamoxifen N-oxide (CHEBI:63825) has parent hydride stilbene (CHEBI:26775)
tamoxifen N-oxide (CHEBI:63825) has role anti-estrogen (CHEBI:50751)
tamoxifen N-oxide (CHEBI:63825) has role metabolite (CHEBI:25212)
tamoxifen N-oxide (CHEBI:63825) is a aromatic ether (CHEBI:35618)
tamoxifen N-oxide (CHEBI:63825) is a tertiary amine oxide (CHEBI:134363)
IUPAC Name 
(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine oxide
Manual XrefsDatabases
C16545KEGG COMPOUND
Registry NumbersSources
Reaxys:8504138Reaxys
CAS:75504-34-6KEGG COMPOUND
CAS:75504-34-6ChemIDplus
Citations