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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-Desmethyl Diltiazem-[d4] hydrochloride

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General Information
Catalog: BLP-004959
CAS: 1217650-51-5
Molecular Formula: C21H20D4N2O4S.HCl
Molecular Weight: 440.98
Chemical Structure
N-Desmethyl Diltiazem-[d4] hydrochloride
Description N-Desmethyl Diltiazem-[d4] hydrochloride is the labelled analogue of N-Desmethyl Diltiazem hydrochloride, which is a metabolite of Diltiazem.
Synonyms N-Desmethyl Diltiazem D4 hydrochloride; (2S-cis)-3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-[2-(methylamino-d4)ethyl]-1,5-benzothiazepin-4(5H)-one Monohydrochloride; N-Demethyldiltiazem-d4 hydrochloride; N-Monodesmethyldiltiazem-d4 hydrochloride
IUPAC Name [(2S,3S)-2-(4-methoxyphenyl)-4-oxo-5-[1,1,2,2-tetradeuterio-2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride
Related CAS 130606-60-9 (unlabelled)
Canonical SMILES CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCNC)C3=CC=C(C=C3)OC.Cl
InChI InChI=1S/C21H24N2O4S.ClH/c1-14(24)27-19-20(15-8-10-16(26-3)11-9-15)28-18-7-5-4-6-17(18)23(21(19)25)13-12-22-2;/h4-11,19-20,22H,12-13H2,1-3H3;1H/t19-,20+;/m1./s1/i12D2,13D2;
InChI Key GIYQYIVUHPJUHS-QOBXRDEGSA-N
Melting Point 156-158°C
Purity ≥98%; ≥99% atom D
Solubility Slightly soluble in Chloroform, DMSO, Methanol
Appearance White to Off-white Solid
Storage Store at -20°C under inert atmosphere
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