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Chemical structure of Febuxostat impurity 7

GC69098

Febuxostat impurity 7

Also known as 2-[3-[(E)-hydroxyiminomethyl]-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Febuxostat impurity 7 is an impurity of Febuxostat· Febuxostat is a selective inhibitor of xanthine oxidase (XO) with a Ki value of 0·6 nM

ChemicalCAS1350352-70-3MW334.39FormulaC16H18N2O4S
CAS number
1350352-70-3
Molecular weight
334.39
Formula
C16H18N2O4S
Solubility
DMSO : 250 mg/mL (747·63 mM; Need ultrasonic)
InChIKey
MDMGIABSBHFMNF-REZTVBANSA-N
Catalogue number
GC69098
Brand
GLPBIO
Computed properties PubChem CID 54588800 · XLogP 3.9 · TPSA 120 Ų · H-bond donors 2
XLogP
3.9
TPSA
120 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
23

SMILES CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)/C=N/O)C(=O)O

Computed descriptors from PubChem (CID 54588800), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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