CHEBI:3753 - clomiphene citrate

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ChEBI Name clomiphene citrate
ChEBI ID CHEBI:3753
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C26H28ClNO.C6H8O7
C32H36ClNO8
Net Charge 0
Average Mass 598.08288
Monoisotopic Mass 597.21294
InChI InChI=1S/C26H28ClNO.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey PYTMYKVIJXPNBD-UHFFFAOYSA-N
SMILES [H+].[H+].[H+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CCN(CC)CCOc1ccc(cc1)C(c1ccccc1)=C(Cl)c1ccccc1
Roles Classification
Application(s): anti-estrogen
A drug which acts to reduce estrogenic activity in the body, either by reducing the amount of estrogen or by reducing the activity of whatever estrogen is present.
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ChEBI Ontology
Outgoing clomiphene citrate (CHEBI:3753) has part clomiphene (CHEBI:3752)
clomiphene citrate (CHEBI:3753) has role anti-estrogen (CHEBI:50751)
clomiphene citrate (CHEBI:3753) is a citrate salt (CHEBI:50744)
IUPAC Name
2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate
Synonyms Sources
Clomifene citrate KEGG DRUG
Clomiphene dihydrogen citrate ChemIDplus
Manual Xrefs Databases
D00962 KEGG DRUG
DB00882 DrugBank
View more database links
Registry Numbers Types Sources
50-41-9 CAS Registry Number ChemIDplus
50-41-9 CAS Registry Number KEGG DRUG
5223439 Beilstein Registry Number Beilstein
Last Modified
04 August 2014