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CHEBI:3752 - clomiphene
| Formula | C26H28ClNO |
| Net Charge | 0 |
| Average Mass | 405.969 |
| Monoisotopic Mass | 405.18594 |
| SMILES | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3 |
| InChIKey | GKIRPKYJQBWNGO-UHFFFAOYSA-N |
| 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: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| clomiphene (CHEBI:3752) has parent hydride stilbene (CHEBI:26775) |
| clomiphene (CHEBI:3752) has role estrogen antagonist (CHEBI:50837) |
| clomiphene (CHEBI:3752) has role estrogen receptor modulator (CHEBI:50739) |
| clomiphene (CHEBI:3752) is a tertiary amine (CHEBI:32876) |
| Incoming Relation(s) |
| clomiphene citrate (CHEBI:3753) has part clomiphene (CHEBI:3752) |
| IUPAC Name |
|---|
| 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine |
| INNs | Source |
|---|---|
| clomifene | DrugBank |
| clomifeno | ChemIDplus |
| clomifenum | ChemIDplus |
| Synonyms | Source |
|---|---|
| 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine | ChemIDplus |
| 2-(p-(β-chloro-α-phenylstyryl)phenoxy)triethylamine | NIST Chemistry WebBook |
| 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)triethylamine | ChemIDplus |
| Clomifene | ChemIDplus |
| Clomiphene | KEGG COMPOUND |