ospemifene   

GtoPdb Ligand ID: 7349

Synonyms: FC-1271 | Osphena® | Senshio®
ospemifene is an approved drug (FDA (2013), EMA (2015))
Compound class: Synthetic organic
Comment: Ospemifene is a selective estrogen receptor modulator (SERM) [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 29.46
Molecular weight 378.14
XLogP 6.29
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES ClCCC(=C(c1ccccc1)c1ccc(cc1)OCCO)c1ccccc1
Isomeric SMILES ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCO)/c1ccccc1
InChI InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-
InChI Key LUMKNAVTFCDUIE-VHXPQNKSSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2013), EMA (2015))
IUPAC Name
2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]ethanol
International Nonproprietary Names
INN number INN
7859 ospemifene
Synonyms
FC-1271 | Osphena® | Senshio®
Database Links
CAS Registry No. 128607-22-7 (source: Scifinder)
ChEMBL Ligand CHEMBL2105395
DrugBank Ligand DB04938
DrugCentral Ligand 4749
GtoPdb PubChem SID 178103921
PubChem CID 3036505
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Wikipedia Ospemifene