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CHEBI:8772 - raloxifene

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ChEBI Name raloxifene
ChEBI ID CHEBI:8772
Definition A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45355
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Formula C28H27NO4S
Net Charge 0
Average Mass 473.585
Monoisotopic Mass 473.166
InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
InChIKey GZUITABIAKMVPG-UHFFFAOYSA-N
SMILES S1C(=C(C2=C1C=C(O)C=C2)C(=O)C3=CC=C(OCCN4CCCCC4)C=C3)C5=CC=C(O)C=C5
Roles Classification
Biological Role(s): estrogen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of estrogens.
Application(s): 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.
estrogen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of estrogens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing raloxifene (CHEBI:8772) has role bone density conservation agent (CHEBI:50646)
raloxifene (CHEBI:8772) has role estrogen antagonist (CHEBI:50837)
raloxifene (CHEBI:8772) has role estrogen receptor modulator (CHEBI:50739)
raloxifene (CHEBI:8772) is a 1-benzothiophenes (CHEBI:38836)
raloxifene (CHEBI:8772) is a N-oxyethylpiperidine (CHEBI:48737)
raloxifene (CHEBI:8772) is a aromatic ketone (CHEBI:76224)
raloxifene (CHEBI:8772) is a phenols (CHEBI:33853)
raloxifene (CHEBI:8772) is conjugate base of raloxifene(1+) (CHEBI:90191)
Incoming raloxifene(1+) (CHEBI:90191) is conjugate acid of raloxifene (CHEBI:8772)
IUPAC Name
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone
INNs Sources
raloxifène ChEBI
raloxifene ChemIDplus
raloxifeno ChemIDplus
raloxifenum ChemIDplus
Synonyms Sources
(2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone ChemIDplus
LY 139481 KEGG COMPOUND
Raloxifene KEGG COMPOUND
Brand Name Source
Keoxifene Deprecated term DrugBank
Database Links Databases
C07228 KEGG COMPOUND
D08465 KEGG DRUG
DB00481 DrugBank
EP62503 Patent
LSM-3425 LINCS
RAL PDBeChem
Raloxifene Wikipedia
US4418068 Patent
View more database links
Registry Numbers Types Sources
4890356 Beilstein Registry Number Beilstein
84449-90-1 CAS Registry Number ChemIDplus
Last Modified
25 February 2016