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Chemical structure of Niraxostat

GC75317

Niraxostat

Also known as 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid

Niraxostat (Y-700; Piraxostat) is an orally active xanthine oxidoreductase (XOR) inhibitor used in the study of hyperuricemia and other diseases in which XOR may be involved

ChemicalCAS206884-98-2MW299.32FormulaC16H17N3O3
CAS number
206884-98-2
Molecular weight
299.32
Formula
C16H17N3O3
Solubility
DMSO： 83·33 mg/mL (278·40 mM; Need ultrasonic)
InChIKey
AETHRPHBGJAIBT-UHFFFAOYSA-N
Catalogue number
GC75317
Brand
GLPBIO
Computed properties PubChem CID 449035 · XLogP 2.8 · TPSA 88.1 Ų · H-bond donors 1
XLogP
2.8
TPSA
88.1 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22

SMILES CC(C)(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N

Computed descriptors from PubChem (CID 449035), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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