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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

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