4-Hydroxyclomiphene
Basic information
- CAS
79838-51-0- Standard SMILES
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccc(O)cc2)cc1- InChIKey
LTZHRTXXQIPLOH-UHFFFAOYSA-N- Molecular formula
- C26H28ClNO2
- Average molar mass
- 422 g/mol
- Monoisotopic mass
- 421.1808568
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 4-Hydroxyclomiphene
- IUPAC
- 4-[2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenol
- English name
- 4-hydroxyclomiphene
- Molecular formula
- C26H28ClNO2
- Molecular weight
- 421.96
Names & synonyms
79838-51-04-HydroxyclomipheneRefChem:99303Phenol, 4-(2-chloro-1-(4-(2-(diethylamino)ethoxy)phenyl)-2-phenylethenyl)-4-[2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]phenolDTXSID401024639SCHEMBL6768536(E)-4-(2-Chloro-1-(4-(2-(diethylamino)ethoxy)phenyl)-2-phenylvinyl)phenol4-(2-Chloro-1-(4-(2-(diethylamino)ethoxy)phenyl)-2-phenylethenyl)-phenolPhenol, 4-[2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]-
Database identifiers
- CAS
79838-51-0- PubChem CID
- 133285
- DTXSID
DTXSID401024639
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Melting point
- 147 · 147-150oC (dec.)
- Boiling point
- 540.8 · 540.8±50.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly), Dichloromethane, Ethyl Acetate
- pka
- 8.38 · 8.38±0.15(Predicted)
- form
- Solid
- color
- Light Brown
Chemistry & industry
Applications
Uses4-Hydroxy-clomiphene reduces the growth rate of T 47D human breast cancer cells while simultaneous treatment with epidermal growth factor (EGF) and 4-Hydroclomiphene leads to a partial reversal of the growth inhibitory effect of the anti-estrogen.Non-steroidal estrogen antagonist.
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Compound notes
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