Dataset
![molecular Image]()
Labetalol
Chemical Info
| InChI | InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24) |
|---|---|
| SMILES | CC(CCc(c2)cccc2)NCC(O)c(c1)cc(C(N)=O)c(O)c1 |
| InChI Key | SGUAFYQXFOLMHL-UHFFFAOYSA-N |
| Molecular Formula | C19H24N2O3 |
| Exact Mass | 328.179 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-WA001276 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:46:38.697063 |
| MetadataModified | 2024-01-11T22:46:38.844686 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB00598 | DrugBank |
| CHEMBL429 | ChEMBL |
| C07063 | KEGG Ligand |
| 653717 | eMolecules |
| 14777379 | PubChem: Thomson Pharma |
| 3869 | PubChem |
| PD009899 | ProbesDrugs |
| labetalol | Atlas |
| PA164743150 | PharmGKB |
| 36894-69-6 | ACToR |
| SCHEMBL4582 | SureChEMBL |
| LSM-1282 | LINCS |
| MCULE-6427232261 | Mcule |
| 7207 | Guide to Pharmacology |
| J19.703C | Nikkaji |
| labetalol | DailyMed |
| CB7735086 | ChemicalBook |
| HMDB0014736 | Human Metabolome Database |
| 1531 | DrugCentral |
| 25758 | BindingDB |
| 236892 | Brenda |
| LABETALOL | DailyMed |
| TRANDATE | rxnorm |
| LABETALOL HYDROCHLORIDE | rxnorm |
| DTXSID2023191 | EPA CompTox Dashboard |
| LABETALOL | clinicaltrials |
| LABETALOL HYDROCHLORIDE | clinicaltrials |
| TRANDATE | clinicaltrials |
| NORMODYNE | clinicaltrials |
| 167638 | ChEBI |
| R5H8897N95 | FDA SRS |
| LABETALOL | rxnorm |
| The data in this table is sourced from UniChem at EBI. | |