Desacetyl Diltiazem D4

Datasheet MSDS
Catalog Number
ALP2619
Product Name
Desacetyl Diltiazem D4
Structure
Desacetyl Diltiazem D4
CAS Number
112259-40-2
IUPAC Name
(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one
Synonyms
(2S-cis)-5-[2-(Dimethylamino)ethyl-1,1,2,2-d4]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
Molecular Formula
C20H20D4N2O3S
Molecular Weight
376.51
Purity
95% by HPLC;98% atom D
SMILES
[2H]C([2H])(C([2H])([2H])N(C)C)N1C2=CC=CC=C2S[C@H]([C@H](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/i12D2,13D2
InChI Key
NZHUXMZTSSZXSB-AKZXBINPSA-N
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