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Desmethyl Ketoprofen

CAT: 0804-HY-131118-01Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-131118-01Size:10 mM - 1 mL
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Description
Desmethyl Ketoprofen has anti-inflammatory activities. Desmethyl Ketoprofen can be used for the study of angiogenesis-related disorders.
CAS Number
22071-22-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/desmethyl-ketoprofen.html
Concentration
10mM
Purity
99.72
Solubility
DMSO : ≥ 50 mg/mL
Smiles
O=C(O)CC1=CC=CC(C(C2=CC=CC=C2)=O)=C1
Molecular Formula
C15H12O3
Molecular Weight
240.26
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(3-Benzoylphenyl)acetic acid
CAS Number22071-22-3
PubChem CID30931
IUPAC Name2-(3-benzoylphenyl)acetic acid
Molecular FormulaC15H12O3
Molecular Weight240.25
XLogP3
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity305
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)CC(=O)O
InChI
InChI=1S/C15H12O3/c16-14(17)10-11-5-4-8-13(9-11)15(18)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,17)
InChIKey
ALDSXDRDRWDASQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Benzoylphenyl)acetic acid
CAS: 22071-22-3
CID: 30931
Formula: C15H12O3
MW: 240.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight240.25
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass240.078644241
Monoisotopic Mass240.078644241
Topological Polar Surface Area54.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity305
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