CAS 154523-54-3 Diclofenac-[d4] Sodium Salt

General Information
Catalog: BLP-011568
CAS: 154523-54-3
Molecular Formula: C14H6D4Cl2NNaO2
Molecular Weight: 322.15

General Information

Catalog: BLP-011568

CAS: 154523-54-3

Molecular Formula: C14H6D4Cl2NNaO2

Molecular Weight: 322.15

Chemical Structure

Description	Diclofenac-[d4] Sodium Salt is the labelled salt of Diclofenac, which is a nonsteroidal anti-inflammatory drug and decycloxygenase (COX) inhibitor.
Synonyms	Diclofenac-d4 Sodium Salt (phenyl-d4-acetic); 2-((2,6-Dichlorophenyl)aminobenzeneacetic Acid-d4 Sodium Salt; Diclofenac-d4 Sodium Salt; Voltaren-d4 Sodium Salt; Diclofenacum-d4 Sodium Salt; 2-(2-((2,6-Dichlorophenyl)amino)phenyl)acetic acid-d4 Sodium Salt
IUPAC Name	sodium;2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetate
Related CAS	15307-79-6 (unlabelled) 15307-86-5 (unlabelled free acid)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl)[2H])[2H].[Na+]
Canonical SMILES	C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]
InChI	InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1/i1D,2D,4D,7D;
InChI Key	KPHWPUGNDIVLNH-QOJBZNDNSA-M
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Methanol (Slightly)
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C under inert atmosphere

Diclofenac-[d4] Sodium Salt, an isotope-labeled variant of diclofenac, a commonly prescribed nonsteroidal anti-inflammatory drug (NSAID), finds diverse applications in pharmaceutical research. Here are the applications:

Pharmacokinetic Studies: Employing Diclofenac-[d4] Sodium Salt in pharmacokinetic investigations offers a glimpse into the intricate processes of absorption, distribution, metabolism, and excretion (ADME) of diclofenac within the body. By utilizing a labeled compound, researchers can meticulously monitor and quantify its journey and transformations within biological systems, furnishing invaluable insights for unraveling drug behaviors and optimizing dosing strategies.

Drug Metabolism Research: Within drug metabolism inquiries, Diclofenac-[d4] Sodium Salt proves invaluable in discerning and quantifying diclofenac metabolites. The isotopic labeling facilitates the differentiation of diclofenac and its metabolites from endogenous biological molecules, aiding in elucidating metabolic pathways and potential drug-drug interactions, pivotal for ensuring the safety and efficacy of pharmaceutical compounds.

Analytical Method Development: Playing a pivotal role in the advancement and validation of analytical methodologies like liquid chromatography-mass spectrometry (LC-MS), Diclofenac-[d4] Sodium Salt serves as an internal standard, guaranteeing the accuracy and precision in quantifying diclofenac levels across diverse samples. This meticulous approach is indispensable for maintaining quality standards and regulatory adherence in pharmaceutical analysis.

Clinical Research: In the realm of clinical investigations, Diclofenac-[d4] Sodium Salt takes center stage in bioavailability and bioequivalence studies, comparing the pharmacokinetic profiles of various diclofenac formulations to ensure uniform therapeutic outcomes. The utilization of a labeled compound furnishes dependable data, bolstering the development of novel diclofenac-based therapies and formulations, paving the way for enhanced patient care and treatment efficacy.