clomiphene (CHEBI:3752)

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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

Average Mass

405.95936

Monoisotopic Mass

405.18594

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
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

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.

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

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

Last Modified

22 February 2017