Dataset
![molecular Image]()
Atenolol
Chemical Info
| InChI | InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) |
|---|---|
| SMILES | CC(C)NCC(O)COc(c1)ccc(CC(N)=O)c1 |
| InChI Key | METKIMKYRPQLGS-UHFFFAOYSA-N |
| Molecular Formula | C14H22N2O3 |
| Exact Mass | 266.163 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-WA001318 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:50:43.634589 |
| MetadataModified | 2024-01-11T22:50:43.784915 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 533825 | eMolecules |
| 27677625 | eMolecules |
| SAM002564193 | NIH Clinical Collection |
| 12014149 | PubChem: Drugs of the Future |
| 2904 | ChEBI |
| DB00335 | DrugBank |
| CHEMBL24 | ChEMBL |
| 548 | Guide to Pharmacology |
| atenolol | DailyMed |
| HMDB0001924 | Human Metabolome Database |
| CB3753116 | ChemicalBook |
| 62194 | Brenda |
| ATENOLOL | rxnorm |
| DTXSID2022628 | EPA CompTox Dashboard |
| 50VV3VW0TI | FDA SRS |
| ICI-66082 | clinicaltrials |
| ICI 66,082 | clinicaltrials |
| 25753 | BindingDB |
| ATENOLOL | DailyMed |
| TENORMIN | rxnorm |
| 255 | DrugCentral |
| ICI 66082 | clinicaltrials |
| TENORMIN | clinicaltrials |
| ATENOLOL | clinicaltrials |
| HY-17498 | MedChemExpress |
| MCULE-9148694071 | Mcule |
| J3.170D | Nikkaji |
| 20209081 | NMRShiftDB |
| 2249 | PubChem |
| PD001885 | ProbesDrugs |
| LSM-4355 | LINCS |
| 29122-68-7 | ACToR |
| 14799140 | PubChem: Thomson Pharma |
| SCHEMBL4362 | SureChEMBL |
| PA448499 | PharmGKB |
| 60966-51-0 | ACToR |
| The data in this table is sourced from UniChem at EBI. | |