N-desmethyl Diltiazem (hydrochloride)

N-desmethyl Diltiazem is an active metabolite of the calcium channel inhibitor diltiazem. It is formed from diltiazem by the cytochrome P450 (CYP) isoforms CYP3A4, CYP3A5, and CYP3A7. N-desmethyl Diltiazem binds to isolated rat cerebral cortex homogenates (IC50 = 323 nM) and inhibits spontaneous contractions in isolated rat portal veins (IC50 = 489 nM). It has been found as a contaminant in fresh water.Formal Name: 3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-1,5-benzothiazepin-4(5H)-one, monohydrochloride. CAS Number: 130606-60-9. Molecular Formula: C21H24N2O4S . HCl. Formula Weight: 437.0. Purity: >90%. Formulation: (Request formulation change), A solid. Solubility: Chloroform: soluble, DMSO: soluble. SMILES: CC(O[C@@H]1[C@@](C2=CC=C(C=C2)OC)([H])SC3=CC=CC=C3N(C1=O)CCNC)=O.Cl. InChi Code: InChI=1S/C21H24N2O4S.ClH/c1-14(24)27-19-20(15-8-10-16(26-3)11-9-15)28-18-7-5-4-6-17(18)23(21(19)25)13-12-22-2,/h4-11,19-20,22H,12-13H2,1-3H3,1H/t19-,20+,/m1./s1. InChi Key: GIYQYIVUHPJUHS-FDOHDBATSA-N.