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CHEBI:73275 - ospemifene

Default Structure
ChEBI IDCHEBI:73275
ChEBI Nameospemifene
Stars
DefinitionAn organochlorine compound that is a selective estrogen receptor modulator; used for treatment of dyspareunia.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC24H23ClO2
Net Charge0
Average Mass378.899
Monoisotopic Mass378.13866
SMILESOCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
InChIInChI=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-
InChIKeyLUMKNAVTFCDUIE-VHXPQNKSSA-N
Wikipedia
Roles Classification
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
ospemifene (CHEBI:73275) has parent hydride stilbene (CHEBI:26775)
ospemifene (CHEBI:73275) has role anti-inflammatory agent (CHEBI:67079)
ospemifene (CHEBI:73275) has role antineoplastic agent (CHEBI:35610)
ospemifene (CHEBI:73275) has role estrogen receptor modulator (CHEBI:50739)
ospemifene (CHEBI:73275) is a aromatic ether (CHEBI:35618)
ospemifene (CHEBI:73275) is a organochlorine compound (CHEBI:36683)
ospemifene (CHEBI:73275) is a primary alcohol (CHEBI:15734)
IUPAC Name 
2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethanol
INN  Source
ospemifenoWHO MedNet
Synonyms  Source
2-(4-(4-Chloro-1,2-diphenyl-but-1-enyl)phenoxy)ethanolChemIDplus
2-(p-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)ethanolChemIDplus
(deaminohydroxy) toremifeneChEMBL
Deamino-hydroxytoremifeneChemIDplus
Fc-1271ChemIDplus
FC-1271aChemIDplus
Brand Name  Source
OsphenaKEGG DRUG
Manual XrefsDatabases
4749DrugCentral
CN101636372Patent
D08958KEGG DRUG
EP2275098Patent
EP2286806Patent
OspemifeneWikipedia
US2005182143Patent
US2005187301Patent
US2005187302Patent
US2008207956Patent
US2011015448Patent
WO2005105052Patent
WO2010107475Patent
Registry NumbersSources
Reaxys:10283864Reaxys
CAS:128607-22-7ChemIDplus
CAS:128607-22-7KEGG DRUG
Citations