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N,N-Didesmethyl Trimebutine-[d5] Hydrochloride

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General Information
Catalog: BLP-013052
CAS: 1286624-16-5
Molecular Formula: C20H21D5ClNO5
Molecular Weight: 400.91

Chemical Structure

Description	N,N-Didesmethyl Trimebutine-[d5] Hydrochloride is the labelled analogue of N,N-Didesmethyl Trimebutine Hydrochloride, which is a metabolite of Trimebutine. Trimebutine is an opioid receptor agonist used as an antispasmodic.
Synonyms	N,N-Didesmethyl Trimebutine-d5 Hydrochloride; 3,4,5-Trimethoxybenzoic Acid 2-Amino-2-phenylbutyl-d5 Ester Hydrochloride; N-Didesmethyl Trimebutine-d5 HCl
IUPAC Name	(2-amino-3,3,4,4,4-pentadeuterio-2-phenylbutyl) 3,4,5-trimethoxybenzoate;hydrochloride
Related CAS	84333-60-8 (unlabelled) 1189893-33-1 (free base)
Canonical SMILES	CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N.Cl
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;
InChI Key	NOKRVDGVOIZAKJ-PAJIIYFZSA-N
Melting Point	95-97°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	White Solid
Storage	Store at 2-8°C