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Amfenac (Sodium Hydrate)

CAT: 0804-HY-17479A-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17479A-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Amfenac Sodium Hydrate is a COX-2 inhibitor.
CAS Number
61618-27-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
COX
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Amfenac_Sodium_Hydrate.html
Purity
98.33
Solubility
DMSO : 150 mg/mL (ultrasonic; warming) |H2O : 50 mg/mL (ultrasonic)
Smiles
O=C(O[Na])CC1=CC=CC(C(C2=CC=CC=C2)=O)=C1N.[H]O[H]
Molecular Formula
C15H14NNaO4
Molecular Weight
295.27
Precautions
H302, H315, H319, H335
References & Citations
[1]Marshall JC, et al. The effects of a cyclooxygenase-2 (COX-2) expression and inhibition on human uveal melanoma cell proliferation and macrophage nitric oxide production. J Carcinog. 2007 Nov 27;6:17.|[2]Matsumoto T, et al. Effect of a non-steroidal anti-inflammatory drug (amfenac sodium) on polymorphonuclear leukocytes. Pharmacol Res Commun. 1982 Jun;14 (6) :523-32.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
COX-2

Chemical Information

Amfenac Sodium

Amfenac sodium hydrate is a hydrate that is the monohydrate of the sodium salt of amfenac. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, a cyclooxygenase 2 inhibitor and a cyclooxygenase 1 inhibitor. It contains a sodium (2-amino-3-benzoylphenyl)acetate.

CAS Number61618-27-7
PubChem CID23663941
IUPAC Namesodium;2-(2-amino-3-benzoylphenyl)acetate;hydrate
Molecular FormulaC15H14NNaO4
Molecular Weight295.26
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity342
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)[O-].O.[Na+]
InChI
InChI=1S/C15H13NO3.Na.H2O/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;;/h1-8H,9,16H2,(H,17,18);;1H2/q;+1;/p-1
InChIKey
QZNJPJDUBTYMRS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Amfenac Sodium
CAS: 61618-27-7
CID: 23663941
Formula: C15H14NNaO4
MW: 295.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass295.08205221
Monoisotopic Mass295.08205221
Topological Polar Surface Area84.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity342
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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