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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

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
N-Demethyl Trimebutine-[d5] Hydrochloride
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
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