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Dexketoprofen trometamol

CAT: 0013-GTR19165642-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165642-01Size:5 mg
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Description
Dexketoprofen trometamol is a fast-acting, non-selective cyclooxygenase (COX) inhibitor available for oral and parenteral use. It is utilized in pharmacological research to study inflammatory and pain pathways, with applications in both in vitro enzyme assays and in vivo models of analgesia and inflammation.
CAS Number
156604-79-4
Product Name Alternative
Dexketoprofen trometamol, COX-2
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
99.85% (May vary between batches)
Solubility
H2O:15 mg/mL (39.96 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.33 mM)
Smiles
NC (CO) (CO) CO.C[C@H] (C (O) =O) c1cccc (c1) C (=O) c1ccccc1
Molecular Formula
C20H25NO6
Molecular Weight
375.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzeneacetic acid, 3-benzoyl-alpha-methyl-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1), (alphaS)-
CAS Number156604-79-4
PubChem CID6918332
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;(2S)-2-(3-benzoylphenyl)propanoic acid
Molecular FormulaC20H25NO6
Molecular Weight375.4
Topological Polar Surface Area141
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity385
SMILES
C[C@@H](C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(C(CO)(CO)N)O
InChI
InChI=1S/C16H14O3.C4H11NO3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;5-4(1-6,2-7)3-8/h2-11H,1H3,(H,18,19);6-8H,1-3,5H2/t11-;/m0./s1
InChIKey
QUZMDHVOUNDEKW-MERQFXBCSA-N
Chemical Structure
2D Structure
2D structure of Benzeneacetic acid, 3-benzoyl-alpha-methyl-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1), (alphaS)-
CAS: 156604-79-4
CID: 6918332
Formula: C20H25NO6
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass375.16818752
Monoisotopic Mass375.16818752
Topological Polar Surface Area141 Ų
Heavy Atom Count27
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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