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N-Demethyl Trimebutine-[d5] Hydrochloride

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General Information
Catalog: BLP-013054
CAS: 1286632-72-1
Molecular Formula: C21H23D5ClNO5
Molecular Weight: 414.93

Chemical Structure

Description	N-Demethyl Trimebutine-[d5] Hydrochloride is the labelled analogue of N-Demethyl Trimebutine Hydrochloride, which is the main bioactive metabolite of Trimebutine. Trimebutine is an opioid receptor agonist used as an antispasmodic.
Synonyms	N-Demethyl Trimebutine-d5 Hydrochloride; 3,4,5-Trimethoxybenzoic Acid 2-(Methylamino)-2-phenylbutyl-d5 Ester Hydrochloride; N-Monodesmethyltrimebutine-d5 Hydrochloride; JO 1069-d5 Hydrochloride
IUPAC Name	[3,3,4,4,4-pentadeuterio-2-(methylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate;hydrochloride
Related CAS	294882-33-0 (unlabelled) 1189890-92-3 (free base)
Canonical SMILES	CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)NC.Cl
InChI	InChI=1S/C21H27NO5.ClH/c1-6-21(22-2,16-10-8-7-9-11-16)14-27-20(23)15-12-17(24-3)19(26-5)18(13-15)25-4;/h7-13,22H,6,14H2,1-5H3;1H/i1D3,6D2;
InChI Key	CTXAQAVYYROYHX-LFMIHFMMSA-N
Melting Point	168-170°C
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at 2-8°C under inert atmosphere