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Nimesulide-d5

CAT: 1459-CS-O-10081Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-10081Size:1 Each
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Description
Nimesulide-d5 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Nimesulide. The product is supplied by Clearsynth under CAT No. CS-O-10081. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Labelled Nimesulide (N477500) . Antiinflammatory agent. Preferentially inhibits COX-2 over COX-1. Suppresses chemical-induced carcinogenesis in mice and rats. Inhibits LPS-induced TNF-a production.
CAS Number
1330180-22-7
Synonyms
Nimesulide-d5
Molecular Formula
C 13 H 7 D 5 N 2 O 5 S
Molecular Weight
313.34
Additionnal Information
Nimesulide-d5 is supplied with detailed characterization data compliant with regulatory guideline. Nimesulide-d5 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Nimesulide.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Labelled Nimesulide (N477500) . Antiinflammatory agent. Preferentially inhibits COX-2 over COX-1. Suppresses chemical-induced carcinogenesis in mice and rats. Inhibits LPS-induced TNF-a production.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Nimesulide-d5
CAS Number1330180-22-7
PubChem CID71750951
IUPAC NameN-[4-nitro-2-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methanesulfonamide
Molecular FormulaC13H12N2O5S
Molecular Weight313.34
XLogP2.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity450
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C)[2H])[2H]
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/i2D,3D,4D,5D,6D
InChIKey
HYWYRSMBCFDLJT-VIQYUKPQSA-N
Chemical Structure
2D Structure
2D structure of Nimesulide-d5
CAS: 1330180-22-7
CID: 71750951
Formula: C13H12N2O5S
MW: 313.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.34
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass313.07807639
Monoisotopic Mass313.07807639
Topological Polar Surface Area110 Ų
Heavy Atom Count21
Formal Charge0
Complexity450
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-B0363SNimesulide-d5
RM-N131909-01Nimesulide D5
sc-483685N-Methylsulfonyl Nimesulide-d5
sc-483683N- (Methylsulfonyl) -4- (desnitro) Nimesulide-d5
T1133-01Nimesulide

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