tamoxifen N-oxide (CHEBI:63825)

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ChEBI Name	tamoxifen N-oxide

ChEBI ID	CHEBI:63825

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.

Supplier Information

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Formula

C26H29NO2

Net Charge

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-

InChIKey

YAASNACECBQAFW-QPLCGJKRSA-N

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.

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)

IUPAC Name

(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine oxide

Last Modified

01 February 2017