Diltiazem Malate

Molecular Weight (g/mol)

548.6

Molecular Formula

C26H32N2O9S

InChI

InChI=1S/C22H26N2O4S.C4H6O5/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;5-2(4(8)9)1-3(6)7/h5-12,20-21H,13-14H2,1-4H3;2,5H,1H2,(H,6,7)(H,8,9)/t20-,21+;2-/m10/s1

InChIKey

IUSFTUWHKCSCDY-QTKZZPNDSA-N

SMILES

CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.C([C@@H](C(=O)O)O)C(=O)O

IUPAC Name

[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;(2S)-2-hydroxybutanedioic acid

Exact Mass (Da)

548.18285178

Monoisotopic Mass (Da)

548.18285178