| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:44 UTC |
|---|
| Update Date | 2025-03-25 00:52:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02193743 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H20FN3 |
|---|
| Molecular Mass | 309.1641 |
|---|
| SMILES | CN(C)CC1(c2ccc(F)cc2)CNCc2cc(C#N)ccc21 |
|---|
| InChI Key | HBPVBEOBXKLPRC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | tetrahydroisoquinolines |
|---|
| Subclass | 4-phenyltetrahydroisoquinolines |
|---|
| Direct Parent | 4-phenyltetrahydroisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aryl fluoridesazacyclic compoundsdialkylaminesfluorobenzeneshydrocarbon derivativesnitrilesorganofluoridesorganopnictogen compoundstrialkylamines |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietynitrileorganohalogen compoundfluorobenzenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary aminesecondary aliphatic amineazacycleorganofluoridetertiary aliphatic aminesecondary aminearyl halide4-phenyltetrahydroisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamine |
|---|
