Deacetyl-N-monodemethyldiltiazem
3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
Also Known As: Deacetyl-n-monodemethyldiltiazem|deAcMe-diltiazem|KST-1B4985|KST-1B4986|1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-5-(2-(methylamino)ethyl)-, monohydrochloride|3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride|3-Hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one--hydrogen chloride (1/1)|3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
| Molecular Formula | C19H23ClN2O3S |
|---|---|
| Molecular Weight | 394.1118 g/mol |
| LogP | 2.8773 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1118 |
| Monoisotopic Mass | 394.1118 |
| Heavy Atoms | 26 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 5350-59-4 |
|---|---|
| SMILES | CNCCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC.Cl |
| InChIKey | WRRTVAXYYSGAOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Deacetyl-N-monodemethyldiltiazem (CAS 5350-59-4), with molecular formula C19H23ClN2O3S and molecular weight 394.1118 g/mol. IUPAC: 3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride.
Deacetyl-N-monodemethyldiltiazem is a custom synthesis product. We offer services from milligram to kilogram scale.
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