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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | raloxifene | |
| Synonyms |
raloxifene LY 139481 (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone raloxifeno raloxifenum Raloxifene [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone |
|
| Definitions |
A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8772 |
|
| charge |
0
|
|
| database_cross_reference |
Patent:US4418068 DrugBank:DB00481 Beilstein:4890356 Patent:EP62503 KEGG:C07228 Wikipedia:Raloxifene Drug_Central:2351 KEGG:D08465 CAS:84449-90-1 LINCS:LSM-3425 PDBeChem:RAL
|
|
| definition |
A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.
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|
| formula |
C28H27NO4S
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50739 |
|
| has_alternative_id |
CHEBI:45355
|
|
| has_exact_synonym |
Raloxifene [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
raloxifene LY 139481 (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone raloxifeno raloxifenum
|
|
| id |
CHEBI:8772
|
|
| in_subset | ||
| inchi |
InChI=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
|
|
| inchikey |
GZUITABIAKMVPG-UHFFFAOYSA-N
|
|
| is conjugate base of | ||
| label |
raloxifene
|
|
| mass |
473.585
|
|
| monoisotopicmass |
473.16608
|
|
| notation |
CHEBI:8772
|
|
| prefLabel |
raloxifene
|
|
| smiles |
S1C(=C(C2=C1C=C(O)C=C2)C(=O)C3=CC=C(OCCN4CCCCC4)C=C3)C5=CC=C(O)C=C5
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_48737 http://purl.obolibrary.org/obo/CHEBI_33853 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_48737 http://purl.obolibrary.org/obo/CHEBI_33853 |
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