| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:54 UTC |
|---|
| Update Date | 2025-03-21 18:41:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00133852 |
|---|
| Frequency | 18.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H21Cl2NO |
|---|
| Molecular Mass | 385.1 |
|---|
| SMILES | CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Cl)ccc32)CC1 |
|---|
| InChI Key | PKURJELHTQNDEM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | dibenzocycloheptenes |
|---|
| Subclass | dibenzocycloheptenes |
|---|
| Direct Parent | dibenzocycloheptenes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetamidesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acylpiperidinesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
|---|
| Substituents | aryl chloridecarbonyl groupazacycleorganochloridecarboxamide groupcarboxylic acid derivativeorganohalogen compounddibenzocycloheptenearyl haliden-acyl-piperidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpiperidineorganoheterocyclic compoundacetamideorganooxygen compound |
|---|
