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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.

Desacetyl Diltiazem-[d4]

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General Information
Catalog: BLP-012851
CAS: 112259-40-2
Molecular Formula: C20H20D4N2O3S
Molecular Weight: 376.51
Chemical Structure
Desacetyl Diltiazem-[d4]
Description Desacetyl Diltiazem-[d4] is the labelled analogue of Desacetyl Diltiazem, which is a metabolite of Diltiazem. Diltiazem is a nondihydropyridine calcium channel blocker which can be used in the treatment of hypertension.
Synonyms Desacetyl Diltiazem D4; (2S-cis)-5-[2-(Dimethylamino)ethyl-1,1,2,2-d4]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
IUPAC Name (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one
Related CAS 42399-40-6 (unlabelled) 75472-91-2 (unlabelled hydrochloride)
Isomeric SMILES [2H]C([2H])(C([2H])([2H])N(C)C)N1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC
Canonical SMILES CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC
InChI InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3/t18-,19+/m1/s1/i12D2,13D2
InChI Key NZHUXMZTSSZXSB-AKZXBINPSA-N
Melting Point 84-86°C
Purity 95% by HPLC; 98% atom D
Solubility Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance Off-white to Pale Yellow Solid
Storage Store at 2-8°C under inert atmosphere
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