Dataset
![molecular Image]()
Betaxolol
Chemical Info
| InChI | InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3 |
|---|---|
| SMILES | CC(C)NCC(O)COc(c1)ccc(CCOCC(C2)C2)c1 |
| InChI Key | NWIUTZDMDHAVTP-UHFFFAOYSA-N |
| Molecular Formula | C18H29NO3 |
| Exact Mass | 307.215 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-WA001971 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:48:49.257127 |
| MetadataModified | 2024-01-11T22:48:49.413396 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL423 | ChEMBL |
| DB00195 | DrugBank |
| C06849 | KEGG Ligand |
| 2369 | PubChem |
| PD010175 | ProbesDrugs |
| LSM-1255 | LINCS |
| 14776435 | PubChem: Thomson Pharma |
| betaxolol-betoptic | Selleck |
| 63659-18-7 | ACToR |
| SCHEMBL23530 | SureChEMBL |
| J19.271F | Nikkaji |
| ROKNUB | CCDC |
| 356 | DrugCentral |
| HY-B0381 | MedChemExpress |
| O0ZR1R6RZ2 | FDA SRS |
| DTXSID2022674 | EPA CompTox Dashboard |
| ALO-140102 | clinicaltrials |
| ALO-1401-02 | clinicaltrials |
| BETOPTIC | clinicaltrials |
| BETAXOLOL HYDROCHLORIDE | clinicaltrials |
| BETAXOLOL | clinicaltrials |
| KERLONE | clinicaltrials |
| BETAXOLOL | rxnorm |
| BETOPTIC S | rxnorm |
| BETAXOLOL HYDROCHLORIDE | rxnorm |
| 50405521 | BindingDB |
| BETAXOLOL | DailyMed |
| KERLONE | rxnorm |
| HMDB0014341 | Human Metabolome Database |
| PA448611 | PharmGKB |
| betaxolol | DailyMed |
| CB1134548 | ChemicalBook |
| 3082 | ChEBI |
| 549 | Guide to Pharmacology |
| The data in this table is sourced from UniChem at EBI. | |