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Clonixin

CAT: 0013-GTR19159971-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159971-02Size:50 mg
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Description
Clonixin is a non-steroidal anti-inflammatory drug (NSAID) with analgesic properties. This compound has been reported to block prostaglandin synthesis, and to block inward calcium currents.
CAS Number
17737-65-4
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (380.68 mM)
Smiles
Cc1c (Cl) cccc1Nc1ncccc1C (O) =O
Molecular Formula
C13H11ClN2O2
Molecular Weight
262.69
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Clonixin

Clonixin is a pyridinemonocarboxylic acid that is nicotinic acid substituted at position 2 by a (2-methyl-3-chlorophenyl)amino group. Used (as its lysine salt) for treatment of renal colic, muscular pain and moderately severe migraine attacks. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a vasodilator agent, a lipoxygenase inhibitor and a platelet aggregation inhibitor. It is a pyridinemonocarboxylic acid, an organochlorine compound and an aminopyridine. It is functionally related to a nicotinic acid. It is a conjugate acid of a clonixin(1-).

CAS Number17737-65-4
PubChem CID28718
IUPAC Name2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
Molecular FormulaC13H11ClN2O2
Molecular Weight262.69
XLogP3.8
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity301
SMILES
CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKey
CLOMYZFHNHFSIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clonixin
CAS: 17737-65-4
CID: 28718
Formula: C13H11ClN2O2
MW: 262.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.69
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass262.0509053
Monoisotopic Mass262.0509053
Topological Polar Surface Area62.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity301
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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