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.
Supplier Information No supplier information found for this compound.
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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
82640-04-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations
Last Modified
03 November 2015