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N,N-Didesmethyl Diltiazem-[d4] Hydrochloride

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General Information
Catalog: BLP-004839
CAS: 1246819-75-9
Molecular Formula: C20H18D4N2O4S.HCl
Molecular Weight: 426.95

Chemical Structure

Description	N,N-Didesmethyl Diltiazem-[d4] Hydrochloride is the labelled analogue of N,N-Didesmethyl Diltiazem Hydrochloride, which is a metabolite of Diltiazem.
Synonyms	N,N-Didesmethyl Diltiazem-d4 Hydrochloride; (2S-cis)-3-(Acetyloxy)-5-(2-aminoethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one-d4 Monohydrochloride; (2S,3S)-N,N-Didemethyldiltiazem-d4 Hydrochloride
IUPAC Name	[(2S,3S)-5-(2-amino-1,1,2,2-tetradeuterioethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride
Related CAS	116050-35-2 (unlabelled) 1246912-07-1 (unlabelled free base)
Canonical SMILES	CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN)C3=CC=C(C=C3)OC.Cl
InChI	InChI=1S/C20H22N2O4S.ClH/c1-13(23)26-18-19(14-7-9-15(25-2)10-8-14)27-17-6-4-3-5-16(17)22(12-11-21)20(18)24;/h3-10,18-19H,11-12,21H2,1-2H3;1H/t18-,19+;/m1./s1/i11D2,12D2;
InChI Key	AFGVHOBXBDWFNW-TYKXSTGASA-N
Purity	≥95%
Solubility	Slightly soluble in Methanol
Appearance	Off-white Solid
Storage	Store at -20°C