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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | deferasirox | |
| Synonyms |
deferasirox deferasiroxum Exjade ICL 670 ICL 670A 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid |
|
| Definitions |
A member of the class of triazoles, deferasirox is 1,2,4-triazole substituted by a 4-carboxyphenyl group at position 1 and by 2-hydroxyphenyl groups at positions 3 and 5. An orally active iron chelator, it is used to manage chronic iron overload in patients receiving long-term blood transfusions. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_49005 |
|
| alternative term |
deferasirox deferasiroxum Exjade ICL 670 ICL 670A 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
|
|
| bearer of | ||
| charge |
0
|
|
| database_cross_reference |
CAS:201530-41-8 DrugBank:DB01609 Reaxys:8442898 Beilstein:8442898 KEGG:D03669 Drug_Central:3128
|
|
| definition |
A member of the class of triazoles, deferasirox is 1,2,4-triazole substituted by a 4-carboxyphenyl group at position 1 and by 2-hydroxyphenyl groups at positions 3 and 5. An orally active iron chelator, it is used to manage chronic iron overload in patients receiving long-term blood transfusions.
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|
| formula |
C21H15N3O4
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|
| has_exact_synonym |
4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
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|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
deferasirox deferasiroxum Exjade ICL 670 ICL 670A
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|
| id |
CHEBI:49005
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|
| in_subset | ||
| inchi |
InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)
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|
| inchikey |
BOFQWVMAQOTZIW-UHFFFAOYSA-N
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|
| label |
deferasirox
|
|
| mass |
373.36162
|
|
| monoisotopicmass |
373.10626
|
|
| notation |
CHEBI:49005
|
|
| prefLabel |
deferasirox
|
|
| RO_0000087 | ||
| smiles |
OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O
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|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_22723 http://purl.obolibrary.org/obo/CHEBI_33853 |
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