enclomiphene   Click here for help

GtoPdb Ligand ID: 7619

Synonyms: Androxal® | enclomiphene citrate
PDB Ligand
Compound class: Synthetic organic
Comment: Enclomiphene is the trans isomer component in the racemate drug clomiphene and has also been assigned an INN in its own right.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 12.47
Molecular weight 405.19
XLogP 7.28
No. Lipinski's rules broken 1
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Canonical SMILES CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC
Isomeric SMILES CCN(CCOc1ccc(cc1)/C(=C(\c1ccccc1)/Cl)/c1ccccc1)CC
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/b26-25+
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1309 clomifene
2334 enclomifene
Synonyms Click here for help
Androxal® | enclomiphene citrate
Database Links Click here for help
CAS Registry No. 15690-57-0 (source: Scifinder)
GtoPdb PubChem SID 223365954
PubChem CID 1548953
RCSB PDB Ligand 53Q
Search Google for chemical match using the InChIKey GKIRPKYJQBWNGO-OCEACIFDSA-N
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UniChem Compound Search for chemical match using the InChIKey GKIRPKYJQBWNGO-OCEACIFDSA-N
UniChem Connectivity Search for chemical match using the InChIKey GKIRPKYJQBWNGO-OCEACIFDSA-N