Dataset
![molecular Image]()
Penbutolol
Chemical Info
| InChI | InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1 |
|---|---|
| SMILES | CC(C)(C)NCC([H])(O)COc(c2)c(ccc2)C(C1)CCC1 |
| InChI Key | KQXKVJAGOJTNJS-HNNXBMFYSA-N |
| Molecular Formula | C18H29NO2 |
| Exact Mass | 291.220 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-WA002582 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:36:54.663733 |
| MetadataModified | 2025-02-09T20:22:48.122986 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C07416 | KEGG Ligand |
| DB01359 | DrugBank |
| CHEMBL1290 | ChEMBL |
| J22.286K | Nikkaji |
| 7263 | Guide to Pharmacology |
| ZINC000000001898 | ZINC |
| 2078 | DrugCentral |
| DTXSID8023428 | EPA CompTox Dashboard |
| 7954 | ChEBI |
| PENBUTOLOL SULFATE | clinicaltrials |
| LEVATOL | clinicaltrials |
| HOE-893D | clinicaltrials |
| CB6500517 | ChemicalBook |
| HOE 893D | clinicaltrials |
| PENBUTOLOL | clinicaltrials |
| PENBUTOLOL | rxnorm |
| PENBUTOLOL SULFATE | rxnorm |
| 50470808 | BindingDB |
| HMDB0015447 | Human Metabolome Database |
| PA164749474 | PharmGKB |
| SCHEMBL41408 | SureChEMBL |
| 37464 | PubChem |
| PD009534 | ProbesDrugs |
| 78W62V43DY | FDA SRS |
| 15902888 | PubChem: Thomson Pharma |
| 36507-48-9 | ACToR |
| 38363-40-5 | ACToR |
| The data in this table is sourced from UniChem at EBI. | |