Dataset
![molecular Image]()
Bretylium
Chemical Info
| InChI | InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1 |
|---|---|
| SMILES | CC[N+1](C)(C)Cc(c1)c(Br)ccc1 |
| InChI Key | AAQOQKQBGPPFNS-UHFFFAOYSA-N |
| Molecular Formula | [C11H17BrN]+ |
| Exact Mass | 242.054 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001787 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:48:36.047243 |
| MetadataModified | 2025-02-09T20:23:23.060693 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| PA448662 | PharmGKB |
| HMDB0015289 | Human Metabolome Database |
| 2431 | PubChem |
| 14749639 | PubChem: Thomson Pharma |
| 59-41-6 | ACToR |
| SCHEMBL15438 | SureChEMBL |
| LSM-5607 | LINCS |
| RZR75EQ2KJ | FDA SRS |
| PD009770 | ProbesDrugs |
| DB01158 | DrugBank |
| CHEMBL1199080 | ChEMBL |
| C06855 | KEGG Ligand |
| 3172 | ChEBI |
| BRETYLIUM | DailyMed |
| J4.602G | Nikkaji |
| BRETYLIUM TOSYLATE | rxnorm |
| BRETYLIUM | rxnorm |
| 7130 | Guide to Pharmacology |
| ZINC000000001041 | ZINC |
| 394 | DrugCentral |
| DTXSID3046958 | EPA CompTox Dashboard |
| 50239966 | BindingDB |
| CB31178143 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |