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4-Hydroxy Diclofenac-[d4]

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General Information
Catalog: BLP-012982
CAS: 254762-27-1
Molecular Formula: C14H7D4Cl2NO3
Molecular Weight: 316.18

Chemical Structure

Description	4-Hydroxy Diclofenac-[d4] is the labelled analogue of 4-Hydroxy Diclofenac, which is a metabolite of Diclofenac.
Synonyms	4-Hydroxy Diclofenac-D4; 2-[(2,6-Dichloro-4-hydroxyphenyl)amino](benzene-d4)acetic Acid; 4'-Hydroxy Diclofenac-d4
IUPAC Name	2-[2,3,4,5-tetradeuterio-6-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid
Related CAS	64118-84-9 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl)[2H])[2H]
Canonical SMILES	C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl
InChI	InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)/i1D,2D,3D,4D
InChI Key	KGVXVPRLBMWZLG-RHQRLBAQSA-N
Melting Point	>151°C (dec.)
Purity	≥98% by HPLC; ≥98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Pale Pink to Purple Solid
Storage	Store at -20°C