| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:16 UTC |
|---|
| Update Date | 2025-03-25 00:56:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218137 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H18Cl3N |
|---|
| Molecular Mass | 401.0505 |
|---|
| SMILES | CNC1Cc2cc(Cl)ccc2C(c2ccc(Cl)c(Cl)c2)c2ccccc21 |
|---|
| InChI Key | CIJAGXKORLSGQV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | dibenzocycloheptenes |
|---|
| Subclass | dibenzocycloheptenes |
|---|
| Direct Parent | dibenzocycloheptenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | aryl chloridesdialkylaminesdichlorobenzeneshydrocarbon derivativesorganochloridesorganopnictogen compounds |
|---|
| Substituents | aryl chloridechlorobenzenesecondary aliphatic aminemonocyclic benzene moietyorganochloridearomatic homopolycyclic compoundsecondary amineorganohalogen compounddibenzocycloheptenearyl halideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1,2-dichlorobenzeneorganic nitrogen compoundhalobenzeneamine |
|---|
