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49627-27-2

49627-27-2 structural image
Product Name: SULINDAC SULFIDE
Formula: C20H17FO2S
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2896

COMPUTED DESCRIPTORS

Molecular Weight 340.4 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 340.09332912 g/mol
Monoisotopic Mass 340.09332912 g/mol
Topological Polar Surface Area 62.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 546
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Sulindac sulfide is an aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. It has a role as a non-steroidal anti-inflammatory drug, an apoptosis inducer and an antineoplastic agent. It is an aryl sulfide, an organofluorine compound and a monocarboxylic acid. It is functionally related to a sulindac.