Dataset
![molecular Image]()
Esmolol
Chemical Info
| InChI | InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3 |
|---|---|
| SMILES | COC(=O)CCc(c1)ccc(OCC(O)CNC(C)C)c1 |
| InChI Key | AQNDDEOPVVGCPG-UHFFFAOYSA-N |
| Molecular Formula | C16H25NO4 |
| Exact Mass | 295.178 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-WA001935 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:50:34.389739 |
| MetadataModified | 2024-01-11T22:50:34.574358 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL768 | ChEMBL |
| C06980 | KEGG Ligand |
| DB00187 | DrugBank |
| 901849 | eMolecules |
| 7178 | Guide to Pharmacology |
| J32.840E | Nikkaji |
| 103598-03-4 | ACToR |
| 81147-92-4 | ACToR |
| PD010181 | ProbesDrugs |
| SCHEMBL3605 | SureChEMBL |
| 59768 | PubChem |
| 14825011 | PubChem: Thomson Pharma |
| 50404796 | BindingDB |
| 1054 | DrugCentral |
| MDY902UXSR | FDA SRS |
| DTXSID4022995 | EPA CompTox Dashboard |
| ESMOLOL HYDROCHLORIDE | clinicaltrials |
| ESMOLOL | DailyMed |
| ESMOLOL | rxnorm |
| BREVIBLOC | rxnorm |
| ESMOLOL HYDROCHLORIDE | rxnorm |
| CB6454935 | ChemicalBook |
| CB3454934 | ChemicalBook |
| BREVIBLOC | clinicaltrials |
| ASL-8052 | clinicaltrials |
| ESMOLOL | clinicaltrials |
| 217392 | Brenda |
| esmolol | DailyMed |
| HMDB0014333 | Human Metabolome Database |
| PA449500 | PharmGKB |
| 88206 | ChEBI |
| LSM-4957 | LINCS |
| The data in this table is sourced from UniChem at EBI. | |