CHEBI:44616 - afimoxifene

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ChEBI Name afimoxifene
Definition A tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H29NO2
Net Charge 0
Average Mass 387.51400
Monoisotopic Mass 387.21983
InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
SMILES CC\C(c1ccccc1)=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): estrogen receptor antagonist
An antagonist at the estrogen receptor.
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
estrogen receptor antagonist
An antagonist at the estrogen receptor.
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ChEBI Ontology
Outgoing afimoxifene (CHEBI:44616) has functional parent tamoxifen (CHEBI:41774)
afimoxifene (CHEBI:44616) has role antineoplastic agent (CHEBI:35610)
afimoxifene (CHEBI:44616) has role estrogen receptor antagonist (CHEBI:50792)
afimoxifene (CHEBI:44616) has role metabolite (CHEBI:25212)
afimoxifene (CHEBI:44616) is a phenols (CHEBI:33853)
afimoxifene (CHEBI:44616) is a tertiary amino compound (CHEBI:50996)
INN Source
afimoxifene ChemIDplus
Synonyms Sources
4-Hydroxytamoxifen KEGG COMPOUND
4-hydroxytamoxifen ChemIDplus
4-monohydroxytamoxifen ChEBI
4-OHT ChemIDplus
Manual Xrefs Databases
Afimoxifene Wikipedia
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Registry Numbers Types Sources
4910748 Reaxys Registry Number Reaxys
68047-06-3 CAS Registry Number KEGG COMPOUND
68392-35-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
05 June 2020