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34552-84-6

34552-84-6 structural image
Product Name: ISOXICAM
Formula: C14H13N3O5S
Synonyms: 4-Hydroxy-2-methyl-N-5-methyl-3-isoxolyl-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 33.9 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section 170.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 335.34 g/mol
XLogP3 3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 335.05759170 g/mol
Monoisotopic Mass 335.05759170 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 627
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

Isoxicam is a monocarboxylic acid amide that is piroxicam in which the pyrid-2-yl group is replaced by a 5-methyl-1,2-oxazol-3-yl group. A non-steroidal anti-inflammatory drug, it was withdrawn from the market in the 1980s following its association with cases of Stevens-Johnson syndrome. It has a role as a non-steroidal anti-inflammatory drug and an antirheumatic drug. It is a benzothiazine, a member of isoxazoles and a monocarboxylic acid amide.