HuagongsheHuagongshe Chemistry Print Report · For research reference only
Trioxifene
Trioxifen · Trioxifeno · Trioxifene · Lilly 88571 · Trioxifene [inn] · Trioxifeno [inn-spanish] · 3,4-Dihydro-2-(p-methoxyphenyl)-1-naphthyl p-(2-(1-pyrrolidinyl)ethoxy)phenyl)ketone · (3,4-Dihydro-2-(4-methoxyphenyl)-1-naphthyl)(4-(2-(1-pyrrolidinyl)ethyl)phenyl)keton
Identifiers & Physical Properties
| CAS No. | 63619-84-1 |
|---|---|
| Molecular formula | C30H31NO3 |
| Average molar mass | 453.6 g/mol |
| Monoisotopic mass | 453.23039385 g/mol |
| SMILES | COc1ccc(C2=C(C(=O)c3ccc(OCCN4CCCC4)cc3)c3ccccc3CC2)cc1 |
| InChIKey | IHGLINDYFMDHJG-UHFFFAOYSA-N |
| PubChem CID | 50139 |
| ChEMBL | CHEMBL110057 |
| DTXSID | DTXSID30212997 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 38.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 8 |
| Heavy atoms | 34 |
| Formal charge | 0 |
| Complexity | 696 |
| Solubility | soluble in No data available |
| FDA UNII | R0130F043H |
Applications & Uses
Uses
Anti-estrogen.
Uses
Trioxifene (LY-133,314) is a selective estrogen receptor modulator (SERM) with competitive binding activity against estradiol for estrogen receptor {α} (ER{α}) and antagonistic activity against ER{α}-mediated gene expression. It may be useful for the treatment of breast cancer.