loading...| Preferred Name |
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|
| Synonyms |
Raloxifene [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone raloxifene LY 139481 (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone raloxifeno raloxifenum |
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| 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member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_8772 |
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| charge |
0 |
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| database_cross_reference |
SNOMEDCT:419530003 SNOMEDCT:109029006 MeSH:D020849 NCIt:C1518 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member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.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 |
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| has_alternative_id |
CHEBI:45355 |
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| has_exact_synonym |
Raloxifene [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone |
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| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
raloxifene LY 139481 (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone raloxifeno raloxifenum |
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| id |
CHEBI:8772 |
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| 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 |
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| inchikey |
GZUITABIAKMVPG-UHFFFAOYSA-N |
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| label |
raloxifene |
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| mass |
473.585 |
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| monoisotopicmass |
473.16608 |
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| notation |
CHEBI:8772 |
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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 |
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| subClassOf |