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

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

Name: Nimesulide-d5 - ≥98%,≥98atom%D , CAS No.1330180-22-7
Brand: Aladdin Scientific
SKU: N349033
Availability: InStock

CAS: 1330180-22-7 Cat. No.: N349033 Molecular Weight: 313.34 PubChem CID: 71750951

COA

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Nimesulide-d5 - ≥98%,≥98atom%D CAS No(1330180-22-7) by Aladdin Scientific

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AVAILABLE TO ORDER

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

Overview Specifications Names and Identifiers Documentation Advanced Data Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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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.

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Literature proof

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

Overview

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

Synonyms

Aulin-d5 | Flogovital-d5 | 4′-Nitro-2′-(phenoxy-d5)methanesulfonanilide | N-(4-Nitro-2-(phenoxy-d5)phenyl)methanesulfonamide

Specifications & Purity

≥98%, ≥98atom%D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%, ≥98atom%D

Names and Identifiers

Canonical Smiles	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
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C)[2H])[2H]
Alternate CAS	51803-78-2(Unlabelled)
PubChem CID	71750951
Molecular Weight	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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	313.340 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	313.078 Da
Monoisotopic Mass	313.078 Da
Topological Polar Surface Area	110.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	450.000
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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