CHEBI:49005 - deferasirox

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ChEBI Name deferasirox
ChEBI ID CHEBI:49005
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H15N3O4
Net Charge 0
Average Mass 373.36162
Monoisotopic Mass 373.106
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)
InChIKey BOFQWVMAQOTZIW-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O
Roles Classification
Chemical Role(s): iron chelator

Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing deferasirox (CHEBI:49005) has functional parent 2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol (CHEBI:855)
deferasirox (CHEBI:49005) has role iron chelator (CHEBI:38157)
deferasirox (CHEBI:49005) is a benzoic acids (CHEBI:22723)
deferasirox (CHEBI:49005) is a monocarboxylic acid (CHEBI:25384)
deferasirox (CHEBI:49005) is a phenols (CHEBI:33853)
deferasirox (CHEBI:49005) is a triazoles (CHEBI:35727)
IUPAC Name
4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
INNs Sources
deferasirox ChEBI
deferasiroxum ChemIDplus
Synonyms Sources
ICL 670 ChemIDplus
ICL 670A ChemIDplus
Brand Name Source
Exjade DrugBank
Database Links Databases
3128 DrugCentral
D03669 KEGG DRUG
DB01609 DrugBank
View more database links
Registry Numbers Types Sources
201530-41-8 CAS Registry Number ChemIDplus
8442898 Reaxys Registry Number Reaxys
8442898 Beilstein Registry Number Beilstein
Last Modified
22 February 2017