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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | raloxifene hydrochloride | |
| Synonyms |
6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride Evista 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 |
|
| Definitions |
A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50740 |
|
| alternative term |
6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride Evista 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
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|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_50739 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:82640-04-8 PMID:10098223 PMID:22888234 PMID:25348734 PMID:11951945 PMID:11006795 PMID:24228255 Beilstein:6036780 PMID:21562721 PMID:22889955 DrugBank:DB00481 PMID:25246789 KEGG:D02217 Reaxys:6036780 PMID:23293211 PMID:25037077
|
|
| definition |
A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.
|
|
| formula |
C28H28ClNO4S C28H27NO4S.HCl
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|
| has part | ||
| has_exact_synonym |
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
|
|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride Evista
|
|
| id |
CHEBI:50740
|
|
| in_subset | ||
| 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
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|
| label |
raloxifene hydrochloride
|
|
| mass |
510.046
|
|
| monoisotopicmass |
509.14276
|
|
| notation |
CHEBI:50740
|
|
| overlaps | ||
| prefLabel |
raloxifene hydrochloride
|
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_50739 |
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| smiles |
S1C(=C(C2=C1C=C(O)C=C2)C(=O)C3=CC=C(OCCN4CCCCC4)C=C3)C5=CC=C(O)C=C5.Cl
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| subClassOf |
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