| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:16 UTC |
|---|
| Update Date | 2025-03-21 18:28:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072381 |
|---|
| Frequency | 41.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H20BrN3 |
|---|
| Molecular Mass | 321.0841 |
|---|
| SMILES | CN(C)CCC(c1ccc(Br)cc1)c1cncn1C |
|---|
| InChI Key | NJSAJIHWFMSBSN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | bromobenzenes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl bromidesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganobromidesorganopnictogen compoundstrialkylamines |
|---|
| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic aminebromobenzeneorganohalogen compoundaryl halideimidazoleorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaryl bromideaminetertiary amineorganoheterocyclic compoundazolen-substituted imidazole |
|---|
