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Methyl 3,4,5-Trimethoxybenzoate-[d9]

General Information
Catalog: BLP-012814
CAS: 1182838-07-8
Molecular Formula: C11H5D9O5
Molecular Weight: 235.28
Chemical Structure
Methyl 3,4,5-Trimethoxybenzoate-[d9]
Description Methyl 3,4,5-Trimethoxybenzoate-[d9] is the labelled analogue of Methyl 3,4,5-Trimethoxybenzoate, which is a metabolite of Trimebutine, an antispasmodic agent.
Synonyms Methyl 3,4,5-Trimethoxy-D9-benzoate; 3,4,5-Tri(methoxy-d3)-benzoic acid methyl ester; Methyl Eudesmate-d9; Methyl Gallate Trimethyl Ether-d9; Methyl Tri-O-methylgallate-d9; NSC 16955-d9; Trimethylgallic Acid Methyl Ester-d9
IUPAC Name methyl 3,4,5-tris(trideuteriomethoxy)benzoate
Related CAS 1916-07-0 (unlabelled)
Canonical SMILES COC1=CC(=CC(=C1OC)OC)C(=O)OC
InChI InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3/i1D3,2D3,3D3
InChI Key KACHFMOHOPLTNX-GQALSZNTSA-N
Boiling Point 274.5±0.0 °C at 760 mmHg
Purity 95% by HPLC; 98% atom D
Density 1.1±0.1 g/cm3
Solubility Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance White Solid
Storage Store at RT

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