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Amfenac Sodium Salt

CAT: 0024-sc-210793Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-210793Size:100 mg
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CAS Number
61618-27-7

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...
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