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N-Desmethyl Diltiazem-[d4]

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General Information
Catalog: BLP-004958
Molecular Formula: C21H20D4N2O4S
Molecular Weight: 404.52

Chemical Structure

Description	N-Desmethyl Diltiazem-[d4] is the labelled analogue of N-Desmethyl Diltiazem, which is a metabolite of Diltiazem.
Synonyms	N-Desmethyl Diltiazem D4; (2S-cis)-3-(Acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-1,5-benzothiazepin-4(5H)-one-d4; N-Demethyldiltiazem-d4; N-Monodesmethyldiltiazem-d4
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
Related CAS	86408-45-9 (unlabelled)
Canonical SMILES	CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCNC)C3=CC=C(C=C3)OC
InChI	InChI=1S/C21H24N2O4S/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/t19-,20+/m1/s1/i12D2,13D2
InChI Key	YOMLDISQSWWYOT-MEEIFEPDSA-N
Appearance	Off-white Solid
Storage	Store at -20°C