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CHEBI:50740 - raloxifene hydrochloride

Default Structure
ChEBI IDCHEBI:50740
ChEBI Nameraloxifene hydrochloride
Stars
DefinitionA hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.
Last Modified3 November 2015
SubmitterInma Spiteri
DownloadsMolfile
FormulaC28H27NO4S.HCl
Net Charge0
Average Mass510.055
Monoisotopic Mass509.14276
SMILESCl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12
InChIInChI=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
InChIKeyBKXVVCILCIUCLG-UHFFFAOYSA-N
Roles Classification
Biological Role:
estrogen antagonist  A compound which inhibits or antagonises the biosynthesis or actions of estrogens.
Applications:
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.
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.
ChEBI Ontology
Outgoing Relation(s)
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, hydrochlorideChemIDplus
Brand Name  Source
EvistaDrugBank
Manual XrefsDatabases
D02217KEGG DRUG
DB00481DrugBank
Registry NumbersSources
Reaxys:6036780Reaxys
CAS:82640-04-8ChemIDplus
Citations