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Diclofenac-[13C6] sodium salt

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General Information
Catalog: BLP-001624
CAS: 1261393-73-0
Molecular Formula: C8[13C]6H10Cl2NNaO2
Molecular Weight: 324.09

Chemical Structure

Description	Diclofenac-[13C6] sodium salt, is the labelled analogue of Diclofenac. Diclofenac is a non-selective COX inhibitor with IC50 of 0.5 μg/ml and 0.5 μg/ml for COX-1 and -2 in intact cells, respectively.
Synonyms	[2-(2,6-Dichloro-phenyl-amino)-phenyl-13C6] acetic acid sodium salt; Diclofenac-13C6-Na
IUPAC Name	sodium;2-[6-(2,6-dichloroanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]acetate
Related CAS	15307-79-6 (unlabelled) 15307-86-5 (unlabelled free acid)
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/i1+1,2+1,4+1,7+1,9+1,12+1;
InChI Key	KPHWPUGNDIVLNH-OYZQBFNVSA-M
Melting Point	>257°C (dec.)
Purity	95% by HPLC; 98% atom 13C
Solubility	Soluble in DMSO, Methanol
Appearance	White Powder
Storage	Store at -20°C