CHEBI:9635 - toremifene

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ChEBI Name toremifene
ChEBI ID CHEBI:9635
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H28ClNO
Net Charge 0
Average Mass 405.95936
Monoisotopic Mass 405.186
InChI InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-
InChIKey XFCLJVABOIYOMF-QPLCGJKRSA-N
SMILES CN(C)CCOc1ccc(cc1)C(\c1ccccc1)=C(\CCCl)c1ccccc1
Roles Classification
Biological Role(s): estrogen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of estrogens.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
estrogen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of estrogens.
bone density conservation agent
An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
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.
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ChEBI Ontology
Outgoing toremifene (CHEBI:9635) has parent hydride stilbene (CHEBI:26775)
toremifene (CHEBI:9635) has role antineoplastic agent (CHEBI:35610)
toremifene (CHEBI:9635) has role bone density conservation agent (CHEBI:50646)
toremifene (CHEBI:9635) has role estrogen antagonist (CHEBI:50837)
toremifene (CHEBI:9635) has role estrogen receptor modulator (CHEBI:50739)
toremifene (CHEBI:9635) is a aromatic ether (CHEBI:35618)
toremifene (CHEBI:9635) is a organochlorine compound (CHEBI:36683)
toremifene (CHEBI:9635) is a tertiary amine (CHEBI:32876)
IUPAC Name
2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine
INNs Sources
toremifene ChemIDplus
toremifeno ChemIDplus
toremifenum ChemIDplus
Database Links Databases
2709 DrugCentral
C08166 KEGG COMPOUND
D08620 KEGG DRUG
DB00539 DrugBank
EP95875 Patent
Toremifene Wikipedia
US4696949 Patent
View more database links
Registry Numbers Types Sources
89778-26-7 CAS Registry Number KEGG COMPOUND
89778-26-7 CAS Registry Number ChemIDplus
Last Modified
22 February 2017