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Amfenac Sodium Hydrate

CAT: 0572-TRC-A576500-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A576500-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
61618-27-7
Synonyms
2-Amino-3-benzoylbenzeneacetic acid sodium salt hydrate (1:1:1); Benzeneacetic acid, 2-amino-3-benzoyl-, monosodium salt, monohydrate (9CI)
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
O.[Na+].Nc1c(CC(=O)[O-])cccc1C(=O)c2ccccc2
Molecular Formula
C15 H12 N O3 . Na . H2 O
Molecular Weight
295.27
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
Additionnal Information
IUPAC name: sodium;2-(2-amino-3-benzoylphenyl)acetate;hydrate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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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Alternative Products

CatalogName
HY-17479A-01Amfenac (Sodium Hydrate)
001900Amfenac Sodium Hydrate
HY-17479ARAmfenac (Sodium Hydrate) (Standard)
CS-O-15065Amfenac-d5 Sodium Hydrate
FA17348-01Amfenac sodium salt hydrate
T20197-01Amfenac sodium
HY-17479B-01Amfenac (sodium)
MBS3841639-01Amfenac Sodium Monohydrate
sc-210793Amfenac Sodium Salt
sc-481940Amfenac-d5 Sodium

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