API reference

Deferasirox

CAS number
201530-41-8
Molecular formula
C21H15N3O4
Molecular weight
373.4 g/mol
Deferasirox — 2D structure
2D structure (PubChem)

About this molecule

Deferasirox is 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. It has a role as an iron chelator. It is a member of benzoic acids, a monocarboxylic acid, a member of phenols and a member of triazoles. It is functionally related to a 2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol.

Source: ChEBI, via PubChem.

Identifiers

IUPAC name
4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
InChIKey
BOFQWVMAQOTZIW-UHFFFAOYSA-N
SMILES
C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O
Other CAS numbers recorded
1044764-54-6
PubChem CID
214348

Also known as

Deferasirox · Exjade · ICL 670 · Deferasiroxum · Jadenu · ICL-670A · ICL670 · ICL-670

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