Analyte Name

cis-(±)-Desacetyldiltiazem Hydrochloride

CAS Number

40601-99-8

Molecular Formula

C20 H24 N2 O3 S . Cl H

Molecular Weight

408.942

Accurate Mass

408.127

SMILES

Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O

InChI

InChI=1S/C20H24N2O3S.ClH/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;1H/t18-,19+;/m1./s1

IUPAC

(2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat