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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | rosiglitazone maleate | |
| Synonyms |
Avandia BRL 49653C 5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione (2Z)-but-2-enedioic acid rosiglitazone maleate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8892 |
|
| alternative term |
Avandia BRL 49653C 5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione (2Z)-but-2-enedioic acid rosiglitazone maleate
|
|
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB00412 Beilstein:7966066 KEGG:D00596 CAS:155141-29-0
|
|
| formula |
C18H19N3O3S.C4H4O4
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|
| has part | ||
| has_exact_synonym |
5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione (2Z)-but-2-enedioic acid rosiglitazone maleate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Avandia BRL 49653C
|
|
| id |
CHEBI:8892
|
|
| in_subset | ||
| inchi |
InChI=1S/C18H19N3O3S.C4H4O4/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;5-3(6)1-2-4(7)8/h2-9,15H,10-12H2,1H3,(H,20,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1-
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|
| inchikey |
SUFUKZSWUHZXAV-BTJKTKAUSA-N
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|
| label |
rosiglitazone maleate
|
|
| mass |
473.50004
|
|
| monoisotopicmass |
473.12567
|
|
| notation |
CHEBI:8892
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|
| overlaps | ||
| prefLabel |
rosiglitazone maleate
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|
| smiles |
[H+].[H+].[O-]C(=O)\C=C/C([O-])=O.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
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| subClassOf |
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