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deferasirox

Go to external page http://purl.obolibrary.org/obo/CHEBI_49005

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.

Term info

Label

deferasirox

Synonyms
  • 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid [ IUPAC ]

BRAND NAME
Exjade [ DrugBank ]

INN
deferasiroxum [ ChemIDplus ]

INN
deferasirox [ ChEBI ]

charge

0

formula

C21H15N3O4

has obo namespace

chebi_ontology

has related synonym

Exjade, deferasiroxum, ICL 670A, ICL 670, deferasirox

id

CHEBI:49005

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

mass

373.36162

monoisotopicmass

373.10626

smiles

OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O