| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:08 UTC |
|---|
| Update Date | 2025-03-25 00:55:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02213274 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H23BrN2O |
|---|
| Molecular Mass | 326.0994 |
|---|
| SMILES | CN1CCN(CCCC(O)c2ccc(Br)cc2)CC1 |
|---|
| InChI Key | VQRGBHKYTODZSF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aromatic alcoholsaryl bromidesazacyclic compoundsbromobenzeneshydrocarbon derivativesn-methylpiperazinesorganobromidesorganopnictogen compoundssecondary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholaromatic heteromonocyclic compoundorganohalogen compoundphenylbutylaminepiperazineorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpiperazinetertiary aliphatic aminen-methylpiperazinebromobenzenearyl halideorganic oxygen compound1,4-diazinanesecondary alcoholorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
|---|
