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Nimesulide

CAT: 0931-T1133-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T1133-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51803-78-2
Target
COX
Related Pathways
Neuroscience, Immunology/Inflammation
Purity
0.9991
Bioactivity
Nimesulide (R805) is a relatively COX-2 selective inhibitor with analgesic and antipyretic properties.
Smiles
O(C1=C(NS(C)(=O)=O)C=CC(N(=O)=O)=C1)C2=CC=CC=C2
Molecular Formula
C13H12N2O5S
Molecular Weight
308.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nimesulide

Nimesulide is an aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups. It has a role as a non-steroidal anti-inflammatory drug and a cyclooxygenase 2 inhibitor. It is a sulfonamide, an aromatic ether and a C-nitro compound. It is functionally related to a nitrobenzene.

CAS Number51803-78-2
PubChem CID4495
IUPAC NameN-(4-nitro-2-phenoxyphenyl)methanesulfonamide
Molecular FormulaC13H12N2O5S
Molecular Weight308.31
XLogP2.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity450
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
InChI
InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKey
HYWYRSMBCFDLJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nimesulide
CAS: 51803-78-2
CID: 4495
Formula: C13H12N2O5S
MW: 308.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.31
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass308.04669266
Monoisotopic Mass308.04669266
Topological Polar Surface Area110 Ų
Heavy Atom Count21
Formal Charge0
Complexity450
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

Alternative Products

CatalogName
B1452-50Nimesulide

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