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N,N-Didesmethyl Trimebutine-[d5]

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General Information
Catalog: BLP-013791
CAS: 1189893-33-1
Molecular Formula: C20H20D5NO5
Molecular Weight: 364.45

Chemical Structure

Description	N,N-Didesmethyl Trimebutine-[d5] is the labelled analogue of N,N-Didesmethyl Trimebutine, which is a metabolite of Trimebutine. Trimebutine is an opioid receptor agonist used as an antispasmodic.
Synonyms	N,N-Didesmethyl Trimebutine-d5; 3,4,5-Trimethoxybenzoic Acid 2-Amino-2-phenylbutyl-d5 Ester; N-Didesmethyl Trimebutine-d5; Benzoic acid, 3,4,5-trimethoxy-, 2-amino-2-phenylbutyl-3,3,4,4,4-d5 ester
IUPAC Name	(2-amino-3,3,4,4,4-pentadeuterio-2-phenylbutyl) 3,4,5-trimethoxybenzoate
Related CAS	1286624-16-5 (hydrochloride) 84333-60-8 (unlabelled hydrochloride)
Isomeric 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
Canonical SMILES	CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N
InChI	InChI=1S/C20H25NO5/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/i1D3,5D2
InChI Key	CSWLMBOWWYYFHA-RPIBLTHZSA-N
Solubility	Soluble in DMSO, Methanol
Appearance	White Solid
Storage	Store at 2-8°C