CHEBI:3752 - clomiphene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name clomiphene
ChEBI ID CHEBI:3752
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H28ClNO
Net Charge 0
Average Mass 405.95936
Monoisotopic Mass 405.186
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
SMILES CCN(CC)CCOc1ccc(cc1)C(c1ccccc1)=C(Cl)c1ccccc1
Roles Classification
Biological Role(s): estrogen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of estrogens.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 clomiphene citrate (CHEBI:3753) has part clomiphene (CHEBI:3752)
IUPAC Name
2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine
INNs Sources
clomifene DrugBank
clomifeno ChemIDplus
clomifenum ChemIDplus
Synonyms Sources
2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine ChemIDplus
2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)triethylamine ChemIDplus
2-(p-(β-chloro-α-phenylstyryl)phenoxy)triethylamine NIST Chemistry WebBook
Clomifene ChemIDplus
Clomiphene KEGG COMPOUND
Database Links Databases
700 DrugCentral
C06917 KEGG COMPOUND
D07726 KEGG DRUG
DB00882 DrugBank
LSM-2072 LINCS
US2914563 Patent
View more database links
Registry Numbers Types Sources
2302126 Beilstein Registry Number Beilstein
911-45-5 CAS Registry Number KEGG COMPOUND
911-45-5 CAS Registry Number ChemIDplus
911-45-5 CAS Registry Number NIST Chemistry WebBook
Last Modified
22 February 2017