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Diclofenac-[d4] Sodium Salt

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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