| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:23 UTC |
|---|
| Update Date | 2025-03-25 01:01:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02250295 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C24H25ClN2O2 |
|---|
| Molecular Mass | 408.1605 |
|---|
| SMILES | O=C(OC1CCC1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
|---|
| InChI Key | SXVCWBGRSRSKOG-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 compoundsbenzenoidscarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridinespyridines and derivatives |
|---|
| Substituents | carbonyl grouppolyhalopyridineorganochlorideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinepiperidinearyl chloridecarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid esteraryl halidepyridineorganic oxygen compoundbenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
