CHEBI:50740 - raloxifene hydrochloride

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ChEBI Name raloxifene hydrochloride
ChEBI ID CHEBI:50740
Definition A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C28H27NO4S.HCl
C28H28ClNO4S
Net Charge 0
Average Mass 510.046
Monoisotopic Mass 509.14276
InChI InChI=1S/C28H27NO4S.ClH/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;1H
InChIKey BKXVVCILCIUCLG-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.Cl
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 antagonist
A compound which inhibits or antagonises the biosynthesis or actions of estrogens.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing raloxifene hydrochloride (CHEBI:50740) has part raloxifene(1+) (CHEBI:90191)
raloxifene hydrochloride (CHEBI:50740) has role bone density conservation agent (CHEBI:50646)
raloxifene hydrochloride (CHEBI:50740) has role estrogen antagonist (CHEBI:50837)
raloxifene hydrochloride (CHEBI:50740) has role estrogen receptor modulator (CHEBI:50739)
raloxifene hydrochloride (CHEBI:50740) is a hydrochloride (CHEBI:36807)
IUPAC Names
1-[2-(4-{[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]carbonyl}phenoxy)ethyl]piperidinium chloride
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone hydrochloride
Synonym Source
6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride ChemIDplus
Brand Name Source
Evista DrugBank
Manual Xrefs Databases
D02217 KEGG DRUG
DB00481 DrugBank
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Registry Numbers Types Sources
6036780 Reaxys Registry Number Reaxys
6036780 Beilstein Registry Number Beilstein
82640-04-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10098223 PubMed citation Europe PMC
11006795 PubMed citation Europe PMC
11951945 PubMed citation Europe PMC
21562721 PubMed citation Europe PMC
22888234 PubMed citation Europe PMC
22889955 PubMed citation Europe PMC
23293211 PubMed citation Europe PMC
24228255 PubMed citation Europe PMC
25037077 PubMed citation Europe PMC
25246789 PubMed citation Europe PMC
25348734 PubMed citation Europe PMC
Last Modified
03 November 2015