Dataset
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 |
---|---|
MolPort-005-933-593 | MolPort |
PA449500 | PharmGKB |
HMDB0014333 | Human Metabolome Database |
88206 | ChEBI |
217392 | Brenda |
LSM-4957 | LINCS |
esmolol | DailyMed |
103598-03-4 | ACToR |
81147-92-4 | ACToR |
PD010181 | ProbesDrugs |
59768 | PubChem |
14825011 | PubChem: Thomson Pharma |
SCHEMBL3605 | SureChEMBL |
CHEMBL768 | ChEMBL |
C06980 | KEGG Ligand |
DB00187 | DrugBank |
901849 | eMolecules |
7178 | Guide to Pharmacology |
50404796 | BindingDB |
J32.840E | Nikkaji |
ESMOLOL | DailyMed |
ESMOLOL HYDROCHLORIDE | rxnorm |
CB3454934 | ChemicalBook |
CB6454935 | ChemicalBook |
BREVIBLOC | clinicaltrials |
ASL-8052 | clinicaltrials |
ESMOLOL | clinicaltrials |
ESMOLOL HYDROCHLORIDE | clinicaltrials |
MDY902UXSR | FDA SRS |
ESMOLOL | rxnorm |
BREVIBLOC | rxnorm |
1054 | DrugCentral |
DTXSID4022995 | EPA CompTox Dashboard |
The data in this table is sourced from UniChem at EBI. |