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CHEBI:8772 - raloxifene

ChEBI IDCHEBI:8772
ChEBI Nameraloxifene
Stars
DefinitionA member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.
Secondary ChEBI IDCHEBI:45355
Last Modified22 February 2017
DownloadsMolfile

FormulaC28H27NO4S
Net Charge0
Average Mass473.594
Monoisotopic Mass473.16608
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12
InChIInChI=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
InChIKeyGZUITABIAKMVPG-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone
INNs  Source
raloxifeneChemIDplus
raloxifeno  esChemIDplus
raloxifenum  laChemIDplus
raloxifène  frChEBI
Synonyms  Source
RaloxifeneKEGG COMPOUND
LY 139481KEGG COMPOUND
(2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanoneChemIDplus
Brand Name  Source
KeoxifeneDrugBank
Manual XrefsDatabases
C07228KEGG COMPOUND
DB00481DrugBank
EP62503Patent
US4418068Patent
RaloxifeneWikipedia
D08465KEGG DRUG
RALPDBeChem
LSM-3425LINCS
2351DrugCentral
Registry NumbersSources
Beilstein:4890356Beilstein
CAS:84449-90-1ChemIDplus