| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:42:05 UTC |
|---|
| Update Date | 2025-03-21 17:59:17 UTC |
|---|
| HMDB ID | HMDB0002873 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00019968 |
|---|
| Name | Deacetyldiltiazem |
|---|
| Frequency | 203.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H24N2O3S |
|---|
| Molecular Mass | 372.1508 |
|---|
| SMILES | COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2O)cc1 |
|---|
| InChI Key | NZHUXMZTSSZXSB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazepines |
|---|
| Subclass | benzothiazepines |
|---|
| Direct Parent | benzothiazepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalkylarylthioethersamino acids and derivativesanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholstertiary carboxylic acid amidestrialkylamines |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamamino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary aminealcoholazacycletertiary aliphatic aminecarboxamide groupmethoxybenzeneorganic oxygen compoundthioetheranisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
