4-Hydroxytamoxifen
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Molecular Identity
4-Hydroxytamoxifen
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
PubChem CID: 449459
Afimoxifene is 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. It has a role as a metabolite, an antineoplastic agent and an estrogen receptor antagonist. It is a member of phenols and a tertiary amino compound. It is functionally related to a tamoxifen.
2D Structure
Properties
C26H29NO2
Molecular Formula
387.50
Molecular Weight
g/mol
387.2198
Exact Mass
Da
6.8
XLogP
Above Lipinski threshold
32.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
493
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
4-Hydroxytamoxifen(Z)-4-Hydroxytamoxifen68047-06-3HydroxytamoxifenDTXSID702238495K54647BZ4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenolDTXCID8023844-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenolICI-79280DTXCID0028161DTXSID30370944-((Z)-1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol4OH-tamoxifen4-((1Z)-1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol
Data from PubChem (NCBI)
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Trials and conditions connected to 4-Hydroxytamoxifen
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