| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:18 UTC |
|---|
| Update Date | 2025-03-25 00:50:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179172 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H20N2O2S |
|---|
| Molecular Mass | 328.1245 |
|---|
| SMILES | COc1ccc(C2CC(=O)N(CCN)c3ccccc3S2)cc1 |
|---|
| InChI Key | YIRHHODTLITKSH-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 ethersalkylarylthioethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amides |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepineazacyclecarboxamide groupmethoxybenzeneorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
