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Cinfenoac (disodium)

CAT: 0804-HY-W300403ASize: 1 EachDry Ice: NoHazardous: No
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Description
Cinfenoac disodium is a chalcone derivative with anti-inflammatory activity and can be used in the study of allergic diseases.
CAS Number
68461-38-1
UNSPSC
12352005
Target
Drug Derivative
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Smiles
O=C(O[Na])C(C=C1)=CC=C1/C=C/C(C2=CC=C(C=C2)OCC(O[Na])=O)=O
Molecular Formula
C18H12Na2O6
Molecular Weight
370.26
References & Citations
[1]Treatment of depression. WO2009001040 A2 2008-12-31.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cinfenoac disodium
CAS Number68461-38-1
PubChem CID169490856
IUPAC Namedisodium;4-[(E)-3-[4-(carboxylatomethoxy)phenyl]-3-oxoprop-1-enyl]benzoate
Molecular FormulaC18H12Na2O6
Molecular Weight370.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity471
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)OCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C18H14O6.2Na/c19-16(10-3-12-1-4-14(5-2-12)18(22)23)13-6-8-15(9-7-13)24-11-17(20)21;;/h1-10H,11H2,(H,20,21)(H,22,23);;/q;2*+1/p-2/b10-3+;;
InChIKey
LWRRBGAVOKITFT-PRAOPCELSA-L
Chemical Structure
2D Structure
2D structure of Cinfenoac disodium
CAS: 68461-38-1
CID: 169490856
Formula: C18H12Na2O6
MW: 370.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass370.04292666
Monoisotopic Mass370.04292666
Topological Polar Surface Area107 Ų
Heavy Atom Count26
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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