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201530-41-8

201530-41-8 structural image
Product Name: Deferasirox
Formula: C21H15N3O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Crystals from ethanol
Melting Point 116-117 °C
Solubility 0.038 mg/mL at 37 °C
LogP 3.52
Dissociation Constants pKa1 = 4.57; pKa2 = 8.71; pKa3 = 10.56

COMPUTED DESCRIPTORS

Molecular Weight 373.4 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 373.10625597 g/mol
Monoisotopic Mass 373.10625597 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 540
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Deferasirox is an orally active iron chelator for the removal of excess iron from patients with transfusion overload and non-transfusion dependent thalassaemia syndromes.

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