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Chemical structure of Deferasirox

GC11835

Deferasirox

Also known as 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid

Deferasirox is an orally active iron chelator used to treat iron overload diseases

ChemicalCAS201530-41-8MW373.36FormulaC21H15N3O4
CAS number
201530-41-8
Molecular weight
373.36
Formula
C21H15N3O4
Solubility
≥100 mg/mL in DMSO
InChIKey
BOFQWVMAQOTZIW-UHFFFAOYSA-N
Catalogue number
GC11835
Brand
GLPBIO
Computed properties PubChem CID 214348 · XLogP 3.8 · TPSA 108 Ų · H-bond donors 3
XLogP
3.8
TPSA
108 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28

SMILES C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O

Computed descriptors from PubChem (CID 214348), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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