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CHEBI:9635 - toremifene
| Formula | C26H28ClNO |
| Net Charge | 0 |
| Average Mass | 405.969 |
| Monoisotopic Mass | 405.18594 |
| SMILES | CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25- |
| InChIKey | XFCLJVABOIYOMF-QPLCGJKRSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | estrogen antagonist A compound which inhibits or antagonises the biosynthesis or actions of estrogens. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. estrogen antagonist A compound which inhibits or antagonises the biosynthesis or actions of estrogens. estrogen receptor modulator A substance that possess antiestrogenic actions but can also produce estrogenic effects as well. It acts as complete or partial agonist or as antagonist. It can be either steroidal or nonsteroidal in structure. bone density conservation agent An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| toremifene (CHEBI:9635) has parent hydride stilbene (CHEBI:26775) |
| toremifene (CHEBI:9635) has role antineoplastic agent (CHEBI:35610) |
| toremifene (CHEBI:9635) has role bone density conservation agent (CHEBI:50646) |
| toremifene (CHEBI:9635) has role estrogen antagonist (CHEBI:50837) |
| toremifene (CHEBI:9635) has role estrogen receptor modulator (CHEBI:50739) |
| toremifene (CHEBI:9635) is a aromatic ether (CHEBI:35618) |
| toremifene (CHEBI:9635) is a organochlorine compound (CHEBI:36683) |
| toremifene (CHEBI:9635) is a tertiary amine (CHEBI:32876) |
| IUPAC Name |
|---|
| 2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine |
| INNs | Source |
|---|---|
| toremifene | ChemIDplus |
| toremifeno | ChemIDplus |
| toremifenum | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| CAS:89778-26-7 | KEGG COMPOUND |
| CAS:89778-26-7 | ChemIDplus |