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100324-81-0

100324-81-0 structural image
Product Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione
Formula: C13H20N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 280.32 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 280.15354051 g/mol
Monoisotopic Mass 280.15354051 g/mol
Topological Polar Surface Area 78.7 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 390
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

(R)-lisofylline is a 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (R)-configuration. A synthetic small molecule which was under development for the treatment of type 1 diabetes mellitus. It has a role as an anti-inflammatory agent and an immunomodulator. It is an enantiomer of a (S)-lisofylline.