CHEBI:63825 - tamoxifen N-oxide

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ChEBI Name tamoxifen N-oxide
ChEBI ASCII Name tamoxifen N-oxide
Definition A tertiary amine oxide resulting from the formal oxidation of the amino group of tamoxifen.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H29NO2
Net Charge 0
Average Mass 387.515
Monoisotopic Mass 387.21983
InChI InChI=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-
SMILES C=1(C=CC=CC1)/C(=C(/C=2C=CC=CC2)\C=3C=CC(=CC3)OCC[N+]([O-])(C)C)/CC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): 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.
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ChEBI Ontology
Outgoing 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)
(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine oxide
Manual Xref Database
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Registry Numbers Types Sources
75504-34-6 CAS Registry Number ChemIDplus
8504138 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11545399 PubMed citation Europe PMC
19166339 PubMed citation Europe PMC
7138577 PubMed citation Europe PMC
Last Modified
01 February 2017