afimoxifene (CHEBI:44616)

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ChEBI Name	afimoxifene

ChEBI ID	CHEBI:44616

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

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-

InChIKey

TXUZVZSFRXZGTL-QPLCGJKRSA-N

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. metabolite 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.

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

Last Modified

05 June 2020