| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:45 UTC |
|---|
| Update Date | 2025-03-21 18:35:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00107281 |
|---|
| Frequency | 25.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H19ClN2O3S |
|---|
| Molecular Mass | 390.0805 |
|---|
| SMILES | O=S(=O)(O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
|---|
| InChI Key | HQAVVCOLNAKVHH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzocycloheptapyridines |
|---|
| Subclass | benzocycloheptapyridines |
|---|
| Direct Parent | benzocycloheptapyridines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinespolyhalopyridinessulfuric acid monoamides |
|---|
| Substituents | aryl chlorideorganic sulfuric acid or derivativesazacyclepolyhalopyridineorganochlorideheteroaromatic compoundhydroxypyridineorganohalogen compoundaryl halideorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundbenzocycloheptapyridineorganonitrogen compoundsulfuric acid monoamideorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundpiperidine |
|---|
