enclomiphene   

GtoPdb Ligand ID: 7619

Synonyms: Androxal® | enclomiphene citrate
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.
2D Structure
Click here for structure editor
Physico-chemical Properties
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
SMILES / InChI / InChIKey
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+
InChI Key GKIRPKYJQBWNGO-OCEACIFDSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[(E)-2-chloro-1,2-di(phenyl)ethenyl]phenoxy]-N,N-diethylethanamine
International Nonproprietary Names
INN number INN
1309 clomifene
2334 enclomifene
Synonyms
Androxal® | enclomiphene citrate
Database Links
CAS Registry No. 15690-57-0 (source: Scifinder)
ChEMBL Ligand CHEMBL954
GtoPdb PubChem SID 223365954
PubChem CID 1548953
RCSB PDB Ligand 53Q
Search Google for chemical match using the InChIKey GKIRPKYJQBWNGO-OCEACIFDSA-N
Search Google for chemicals with the same backbone GKIRPKYJQBWNGO
Search PubMed clinical trials enclomifene
Search PubMed titles enclomifene
Search PubMed titles/abstracts enclomifene
Search UniChem for chemical match using the InChIKey GKIRPKYJQBWNGO-OCEACIFDSA-N
Search UniChem for chemicals with the same backbone GKIRPKYJQBWNGO