| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:46 UTC |
|---|
| Update Date | 2025-03-25 00:53:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02200755 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H25Cl2NO |
|---|
| Molecular Mass | 401.1313 |
|---|
| SMILES | COCCN1CCC(=C2c3ccc(Cl)cc3CCc3ccc(Cl)cc32)CC1 |
|---|
| InChI Key | NADXROGLAAMTRQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | dibenzocycloheptenes |
|---|
| Subclass | dibenzocycloheptenes |
|---|
| Direct Parent | dibenzocycloheptenes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aryl chloridesazacyclic compoundsdialkyl ethershydrocarbon derivativesorganochloridesorganopnictogen compoundspiperidinestrialkylamines |
|---|
| Substituents | aryl chlorideetherazacycleorganochloridetertiary aliphatic amineorganohalogen compounddibenzocycloheptenedialkyl etheraryl halideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpiperidineaminetertiary amineorganoheterocyclic compoundorganooxygen compound |
|---|
