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CHEBI:44616 - afimoxifene

ChEBI IDCHEBI:44616
ChEBI Nameafimoxifene
Stars
DefinitionA 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.
Last Modified5 June 2020
DownloadsMolfile
FormulaC26H29NO2
Net Charge0
Average Mass387.523
Monoisotopic Mass387.21983
SMILESCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChIInChI=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-
InChIKeyTXUZVZSFRXZGTL-QPLCGJKRSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
estrogen receptor antagonist  An antagonist at the estrogen receptor.
Applications:
estrogen receptor antagonist  An antagonist at the estrogen receptor.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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
afimoxifeneChemIDplus
Synonyms  Source
4-HYDROXYTAMOXIFENPDBeChem
4-OHTChemIDplus
4-hydroxytamoxifenChemIDplus
4-monohydroxytamoxifenChEBI
4-HydroxytamoxifenKEGG COMPOUND
Manual XrefsDatabases
OHTPDBeChem
D06551KEGG DRUG
AfimoxifeneWikipedia
C05011KEGG COMPOUND
Registry NumbersSources
Reaxys:4910748Reaxys
CAS:68392-35-8ChemIDplus
CAS:68047-06-3KEGG COMPOUND
Citations