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Desacetyl Diltiazem-[d6]

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General Information
Catalog: BLP-002496
CAS: 1246820-35-8
Molecular Formula: C20H18D6N2O3S
Molecular Weight: 378.52

Chemical Structure

Description	Desacetyl Diltiazem-[d6], 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-d6)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one; Deacetyl-d-diltiazem-d6; Desacetyl Diltiazem-d6
IUPAC Name	(2S,3S)-5-[2-[bis(trideuteriomethyl)amino]ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
Related CAS	42399-40-6 (unlabelled) 1309283-22-4 (hydrochloride)
Isomeric SMILES	[2H]C([2H])([2H])N(CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC)C([2H])([2H])[2H]
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/i1D3,2D3
InChI Key	NZHUXMZTSSZXSB-GGGMJEGDSA-N
Melting Point	85-87°C
Purity	98% (CP); 98% atom D
Solubility	Soluble in Chloroform, Ethyl Acetate, Methanol
Appearance	Off-white to Pale Yellow Solid
Storage	Store at -20°C, under inert atmosphere