Nimesulide-d5 - ≥98%,≥98atom%D , CAS No.1330180-22-7

CAS: 1330180-22-7 Cat. No.: N349033 Summenformel: C13H7D5N2O5S Molekulargewicht: 313.34 PubChem CID: 71750951
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GRADE & PURITY ≥98%,≥98atom%D
Synonyms
Aulin-d5 | Flogovital-d5 | 4′-Nitro-2′-(phenoxy-d5)methanesulfonanilide | N-(4-Nitro-2-(phenoxy-d5)phenyl)methanesulfonamide
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Deutschland (EU)
USA*
Price
Qty
1mg
N349033-1mg
Auf Bestellung · 8–12 Wochen
416,43€
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%,≥98atom%D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

Nimesulide-d5 is a deuterium labeled Nimesulide. Nimesulide is a selective COX-2 inhibitor, with IC50s of 70 nM-70 μM in a time-dependent manner, but it shows no effect on COX-1 (IC50 >100 μM). Nimesulide has potent anti-inflammatory, analgesic and antipyretic properties。

Specifications

Synonyme
Aulin-d5 | Flogovital-d5 | 4′-Nitro-2′-(phenoxy-d5)methanesulfonanilide | N-(4-Nitro-2-(phenoxy-d5)phenyl)methanesulfonamide
Spezifikationen & Reinheit
≥98%,≥98atom%D
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Reinheit
≥98%,≥98atom%D
Namen und Kennungen
Kanonisches Lächeln
CS(NC(C=CC([N+]([O-])=O)=C1)=C1OC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])(=O)=O
IUPAC Name
N-[4-nitro-2-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methanesulfonamide
InChIKey
HYWYRSMBCFDLJT-VIQYUKPQSA-N
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
Isomere SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C)[2H])[2H]
Alternative CAS-Nummer
51803-78-2(Unlabelled)
PubChem CID
71750951
Molekulargewicht
313.34

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
KlasseBenzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentDiphenylethers
Alternative Parents Diarylethers  Sulfanilides  Nitrobenzenes  Nitroaromatic compounds  Phenoxy compounds  Phenol ethers  Organic sulfonamides  Organosulfonamides  Aminosulfonyl compounds  Organic oxoazanium compounds  Propargyl-type 1,3-dipolar organic compounds  Organic zwitterions  Organic salts  Organic oxides  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylether - Diaryl ether - Sulfanilide - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic zwitterion - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht313.340 g/mol
XLogP32.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass313.078 Da
Monoisotopic Mass313.078 Da
Topological Polar Surface Area110.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity450.000
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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