| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:10 UTC |
|---|
| Update Date | 2025-03-21 18:28:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072150 |
|---|
| Frequency | 41.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H19BrN2O |
|---|
| Molecular Mass | 334.0681 |
|---|
| SMILES | CN(C)CCC(O)(c1ccc(Br)cc1)c1ccccn1 |
|---|
| InChI Key | JADCLNVHFWACSF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pheniramines |
|---|
| Direct Parent | pheniramines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,3-aminoalcohols2-halopyridinesaromatic alcoholsaryl bromidesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganobromidesorganopnictogen compoundstertiary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundpheniramineorganohalogen compoundorganonitrogen compoundorganopnictogen compound2-halopyridinetertiary aminealcohol1,3-aminoalcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinebromobenzenemethylpyridinearyl halidetertiary alcoholorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
|---|
