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Desacetyl Diltiazem-[d3]

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General Information
Catalog: BLP-002495
CAS: 1246815-32-6
Molecular Formula: C20H21D3N2O3S
Molecular Weight: 375.5

Chemical Structure

Description	Desacetyl Diltiazem-[d3], is the labelled analogue of Desacetyl Diltiazem, which is a metabolite of Diltiazem. Diltiazem is a calcium channel blocker medication used to treat high blood pressure, angina, and certain heart arrhythmias.
Synonyms	(2S-cis)-5-[(Dimethylamino-d3)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one; Deacetyl-d-diltiazem-d3; Deacetyldiltiazem-d3; Desacetyl Diltiazem D3
IUPAC Name	(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-[methyl(trideuteriomethyl)amino]ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one
Related CAS	42399-40-6 (unlabelled)
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/i1D3
InChI Key	NZHUXMZTSSZXSB-JYDNCUBTSA-N
Boiling Point	596.8±50.0 °C at 760 mmHg
Melting Point	84-89°C
Purity	98% (CP); 98% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in Chloroform, Methanol
Appearance	Off-white to Pale Yellow Solid
Storage	Store at -20°C, under inert atmosphere