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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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