N,N-Didesmethyl Trimebutine-d5 Hydrochloride

• CAT Number: C000155
• CAS Number: 1286624-16-5
• Molecular Formula: C₂₀H₂₀D₅NO₅ • HCl
• Purity: ≥95%
• Synonyms: 3,4,5-Trimethoxybenzoic Acid 2-Amino-2-phenylbutyl-d5 Ester Hydrochloride
• Solubility: DMSO (Slightly), Methanol (Slightly)
• Appearance: White to Off-White Solid
• Storage: 4°C
• IUPAC Name: (2-amino-3,3,4,4,4-pentadeuterio-2-phenylbutyl) 3,4,5-trimethoxybenzoate;hydrochloride
• InChI: InChI=1S/C20H25NO5.ClH/c1-5-20(21,15-9-7-6-8-10-15)13-26-19(22)14-11-16(23-2)18(25-4)17(12-14)24-3;/h6-12H,5,13,21H2,1-4H3;1H/i1D3,5D2
• InChIKey: NOKRVDGVOIZAKJ-PAJIIYFZSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N.Cl

N,N-Didesmethyl Trimebutine-d5 Hydrochloride is a deuterium-labeled derivative of N,N-didesmethyl trimebutine, an antispasmodic agent used to treat gastrointestinal disorders. The deuterium labeling enhances its application in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy by providing improved accuracy and sensitivity. This labeled compound is useful in pharmacokinetic studies to track the drug’s metabolism, distribution, and excretion in biological systems. It also aids in understanding the drug’s behavior, optimizing formulations, and validating analytical methods, contributing to the development of effective treatments and ensuring accurate drug analysis.