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3,4,5-Trimethoxybenzoic acid-[d9]

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General Information
Catalog: BLP-012809
CAS: 84759-05-7
Molecular Formula: C10H3D9O5
Molecular Weight: 221.26

Chemical Structure

Description	3,4,5-Trimethoxybenzoic acid-[d9] is the labelled analogue of 3,4,5-Trimethoxybenzoic acid, which is a metabolite of Trimebutine. Trimebutine is an opioid receptor agonist and an antispasmodic.
Synonyms	3,4,5-Trimethoxybenzoic Acid D9; 3,4,5-Tri(methoxy-d3)benzoic Acid; Eudesmic Acid-d9; Gallic Acid Trimethyl-d9 Ether; NSC 2525-d9; Tri-O-(methyl-d9)gallic Acid; (Trimethyl-d9)gallic Acid
IUPAC Name	3,4,5-tris(trideuteriomethoxy)benzoic acid
Related CAS	118-41-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC1=CC(=CC(=C1OC([2H])([2H])[2H])OC([2H])([2H])[2H])C(=O)O
Canonical SMILES	COC1=CC(=CC(=C1OC)OC)C(=O)O
InChI	InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)/i1D3,2D3,3D3
InChI Key	SJSOFNCYXJUNBT-GQALSZNTSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Light Beige Solid
Storage	Store at RT