Ethamoxytriphetol
Basic information
- CAS
67-98-1- Standard SMILES
CCN(CC)CCOc1ccc(C(O)(Cc2ccc(OC)cc2)c2ccccc2)cc1- InChIKey
KDYQVUUCWUPJGE-UHFFFAOYSA-N- Molecular formula
- C27H33NO3
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.24604391
Overview
Ethamoxytriphetol is a stilbenoid.
Names & identifiers
- Preferred name
- Ethamoxytriphetol
- IUPAC
- 1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)-1-phenylethanol
- English name
- Ethamoxytriphetol
- Molecular formula
- C27H33NO3
- Molecular weight
- 419.56
Names & synonyms
ETHAMOXYTRIPHETOL67-98-1MER 25MER-25NSC-198572ND166F554DTXSID6020806Benzeneethanol, alpha-(4-(2-(diethylamino)ethoxy)phenyl)-4-methoxy-alpha-phenyl-Ethanol, 1-(p-(2-(diethylamino)ethoxy)phenyl)-2-(p-methoxyphenyl)-1-phenyl-Ethanol, 1-[p-[2-(diethylamino)ethoxy]phenyl]-2-(p-methoxyphenyl)-1-phenyl-RefChem:138014MER25
Show more names
1-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)-1-phenylethanolBenzeneethanol, α-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-α-phenyl-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)-1-phenylethanol1-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)-1-phenyl-ethanol
DTXCID60806Ethanoxytriphetol(p-2-Diethylaminoethoxyphenyl)-1-phenyl-2-p-anisylethanolNSC198571-[4-(2-Diethylaminoethoxy)phenyl]-1-phenyl-2-(p-anisyl)ethanolNSC 19857;MER 251-(4-(2-Diethylaminoethoxy)phenyl)-1-phenyl-2-(p-anisyl)ethanol1-(p-(2-(Diethylamino)ethoxy)phenyl)-1-phenyl-2-(p-methoxyphenyl)ethanol
Database identifiers
- CAS
67-98-1- PubChem CID
- 6222
- DTXSID
DTXSID6020806- ChEMBL
CHEMBL47647- ChEBI
CHEBI:34748- UNII
- 2ND166F554
- Nikkaji
- J4.855K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Boiling point
- 537.01 °C · 537.01°C (rough estimate)
- Density
- 1.1111 · 1.1111 (rough estimate)
- refractive index
- 1.64 · 1.6400 (estimate)
- FDA UNII
- 2 ND166F554 · 2ND166F554
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.
Applications
UsesEthamoxytriphetol (MER-25) is a nonsteroidal antiestrogen[1].
Additional notes
DefinitionChEBI: Ethamoxytriphetol is a stilbenoid.
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Compound notes
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