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Bromfenac (sodium hydrate) (Standard)

CAT: 0804-HY-B1888BR-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1888BR-01Size:5 mg
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Description
Bromfenac (sodium hydrate) (Standard) is the analytical standard of Bromfenac (sodium hydrate) . This product is intended for research and analytical applications. Bromfenac sodium hydrate (Bromfenac monosodium salt sesquihydrate) is a potent and orally active inhibitor of COX, with IC50s of 5.56 and 7.45 nM for COX-1 and COX-2, respectively. Bromfenac sodium hydrate can be used in ocular inflammation research[1].
CAS Number
120638-55-3
UNSPSC
12352100
Target
COX; Reference Standards
Related Pathways
Immunology/Inflammation; Others
Field of Research
Infection; Inflammation/Immunology
Smiles
O=C(O[Na])CC1=CC=CC(C(C2=CC=C(Br)C=C2)=O)=C1N.[1.5H2O]
Molecular Formula
C15H14BrNNaO4.5
Molecular Weight
383.17
References & Citations
[1]Tetsuo Kida, et al. Pharmacokinetics and efficacy of topically applied nonsteroidal anti-inflammatory drugs in retinochoroidal tissues in rabbits. PLoS One. 2014 May 5;9 (5) :e96481.|[2]Xiaobo Zhang, et al. Drug-eluting intraocular lens with sustained bromfenac release for conquering posterior capsular opacification. Bioact Mater. 2021 Jul 23;9:343-357.|[3]Nolan JC, et, al. The topical anti-inflammatory and analgesic properties of bromfenac in rodents. Agents Actions. 1988 Aug; 25 (1-2) : 77-85.|[4]Kaevalin Lekhanont, et al. Effects of topical anti-inflammatory agents in a botulinum toxin B-induced mouse model of keratoconjunctivitis sicca. J Ocul Pharmacol Ther. 2007 Feb;23 (1) :27-34.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Bromfenac Sodium

Bromfenac sodium salt sesquihydrate is the sesquihydrate of the sodium salt of bromfenac. It is used for the management of ocular pain and treatment of postoperative inflammation in patients who have undergone cataract extraction. It has a role as a non-steroidal anti-inflammatory drug and a non-narcotic analgesic. It contains a bromfenac sodium salt.

CAS Number120638-55-3
PubChem CID11954316
IUPAC Namedisodium;bis(2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate);trihydrate
Molecular FormulaC30H28Br2N2Na2O9
Molecular Weight766.3
Topological Polar Surface Area169
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count45
Formal Charge0
Complexity361
SMILES
C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].O.O.O.[Na+].[Na+]
InChI
InChI=1S/2C15H12BrNO3.2Na.3H2O/c2*16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;;;;;/h2*1-7H,8,17H2,(H,18,19);;;3*1H2/q;;2*+1;;;/p-2
InChIKey
PPOSVVJOVKVBPW-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Bromfenac Sodium
CAS: 120638-55-3
CID: 11954316
Formula: C30H28Br2N2Na2O9
MW: 766.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight766.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass765.99364
Monoisotopic Mass763.99569
Topological Polar Surface Area169 Ų
Heavy Atom Count45
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes

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