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

CAS: 1330180-22-7 Cat. No.: N349033 Fórmula: C13H7D5N2O5S Peso molecular: 313.34 PubChem CID: 71750951
Disponível para encomenda
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
Alemanha (EU)
USA*
Price
Qty
1mg
N349033-1mg
Sob encomenda · 8–12 semanas
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.

📋

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.

Visão geral

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

Sinónimos
Aulin-d5 | Flogovital-d5 | 4′-Nitro-2′-(phenoxy-d5)methanesulfonanilide | N-(4-Nitro-2-(phenoxy-d5)phenyl)methanesulfonamide
Especificações e pureza
≥98%,≥98atom%D
Condições de armazenamento de armazenamento
Store at -20°C
Enviado em
Ice chest + Ice pads
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Pureza
≥98%,≥98atom%D
Nomes e identificadores
Sorrisos canónicos
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
SMILES isoméricas
[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C)[2H])[2H]
CAS alternativo
51803-78-2(Unlabelled)
PubChem CID
71750951
Peso molecular
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
ClasseBenzene 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
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular313.340 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
Calculadoras de soluções
Revisões

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