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Isoxicam

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Description
Isoxicam is a novel and long-acting, non-steroidal anti-inflammatory drugs, used to treat arthritis.
CAS Number
34552-84-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
335.34
Molecular Formula
C14H13N3O5S
Notes
Research use only, not for human use.
Receptor
COX

Chemical Information

Isoxicam

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 A non-steroidal anti-inflammatory drug, it was withdrawn from the market in the 1980s following its association with cases of Stevens-Johnson syndrome.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 monocarboxylic acid amide, a benzothiazine and a member of isoxazoles.

CAS Number34552-84-6
PubChem CID54677972
IUPAC Name4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
Molecular FormulaC14H13N3O5S
Molecular Weight335.34
XLogP3
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity627
SMILES
CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
InChI
InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)
InChIKey
YYUAYBYLJSNDCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoxicam
CAS: 34552-84-6
CID: 54677972
Formula: C14H13N3O5S
MW: 335.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight335.34
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass335.05759170
Monoisotopic Mass335.05759170
Topological Polar Surface Area121 Ų
Heavy Atom Count23
Formal Charge0
Complexity627
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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