Dataset
![molecular Image]()
Acebutolol
Chemical Info
| InChI | InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) |
|---|---|
| SMILES | CCCC(=O)Nc(c1)cc(C(C)=O)c(OCC(O)CNC(C)C)c1 |
| InChI Key | GOEMGAFJFRBGGG-UHFFFAOYSA-N |
| Molecular Formula | C18H28N2O4 |
| Exact Mass | 336.205 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-WA000897 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:44:23.938369 |
| MetadataModified | 2025-02-09T20:21:32.133036 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 115127 | Brenda |
| acebutolol | DailyMed |
| HMDB0015324 | Human Metabolome Database |
| 1978 | PubChem |
| PD009749 | ProbesDrugs |
| LSM-4384 | LINCS |
| 37517-30-9 | ACToR |
| SCHEMBL3772 | SureChEMBL |
| PA448011 | PharmGKB |
| 28197-63-9 | ACToR |
| 1985284 | eMolecules |
| DB01193 | DrugBank |
| CHEMBL642 | ChEMBL |
| 2379 | ChEBI |
| C06803 | KEGG Ligand |
| ACEBUTOLOL | DailyMed |
| 25755 | BindingDB |
| ACEBUTOLOL HYDROCHLORIDE | rxnorm |
| ACETANOL | clinicaltrials |
| ACEBUTOLOL HYDROCHLORIDE | clinicaltrials |
| NEPTAL | clinicaltrials |
| PRENT | clinicaltrials |
| SECTRAL | clinicaltrials |
| ACEBUTOLOL | clinicaltrials |
| 67P356D8GH | FDA SRS |
| MCULE-6278379694 | Mcule |
| DTXSID2048539 | EPA CompTox Dashboard |
| 40 | DrugCentral |
| 7107 | Guide to Pharmacology |
| J29.383K | Nikkaji |
| ACEBUTOLOL | rxnorm |
| CB5393651 | ChemicalBook |
| 15075320 | PubChem: Thomson Pharma |
| The data in this table is sourced from UniChem at EBI. | |