| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:18 UTC |
|---|
| Update Date | 2025-03-21 18:31:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00084475 |
|---|
| Frequency | 34.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H28N2O3S |
|---|
| Molecular Mass | 400.1821 |
|---|
| SMILES | COc1ccc(C2Sc3ccccc3N(CCN(C)C)CC2OC(C)=O)cc1 |
|---|
| InChI Key | WLIXJFCNZMZYHJ-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 acid estersdialkylarylamineshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstrialkylamines |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheramino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundbenzothiazepinedialkylarylaminetertiary amineazacycletertiary aliphatic aminemethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
