Products 42399-41-7

CAS 42399-41-7 appears in our catalog under these names: Diltiazem, >95% (HPLC), Diltiazem, Diltiazem/ 99.51% (existing batch purity), Diltiazem 99%, Diltiazem, 99.70%. Offered by: TRC, GLPBio, TargetMol, Ambeed, MedChemExpress. Available pack sizes: 1g, 2,5g, 250mg, 25g, 5g, 50mg, 100mg, 500mg.

Structural formula: {0} (CAS {1})

Diltiazem is a 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension. It has a role as a vasodilator agent, an antihypertensive agent and a calcium channel blocker. It is a conjugate base of a diltiazem(1+). It is an enantiomer of an ent-diltiazem.

Source: ChEBI

Identity
Molecular formulaC22H26N2O4S
Molecular weight414.5 g/mol
IUPAC name[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
InChIKeyHSUGRBWQSSZJOP-RTWAWAEBSA-N
SMILESCC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

Computed by PubChem (NCBI)