| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:17 UTC |
|---|
| Update Date | 2025-03-25 00:49:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02172240 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H19N3S |
|---|
| Molecular Mass | 309.13 |
|---|
| SMILES | CN1CCCN(C2=Nc3ccccc3Sc3ccccc32)C1 |
|---|
| InChI Key | OXMZNGFXOPZXOG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazepines |
|---|
| Subclass | dibenzothiazepines |
|---|
| Direct Parent | dibenzothiazepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amidinesazacyclic compoundsbenzenoidsdiarylthioethersdiazinaneshydrocarbon derivativesimidolactamsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | azacycleorganic 1,3-dipolar compoundamidinearyl thioetherpropargyl-type 1,3-dipolar organic compound1,3-diazinanedibenzothiazepinearomatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamdiarylthioether |
|---|
