Dataset
![molecular Image]()
Pentobarbital
Chemical Info
| InChI | InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) |
|---|---|
| SMILES | CCCC(C)C(CC)(C(=O)1)C(=O)N=C(O)N1 |
| InChI Key | WEXRUCMBJFQVBZ-UHFFFAOYSA-N |
| Molecular Formula | C11H18N2O3 |
| Exact Mass | 226.132 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-WA000541 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:33:39.729639 |
| MetadataModified | 2025-02-09T20:22:28.741819 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 76-74-4 | ACToR |
| PD010108 | ProbesDrugs |
| LSM-1566 | LINCS |
| SCHEMBL24966 | SureChEMBL |
| 4737 | PubChem |
| 15196098 | PubChem: Thomson Pharma |
| PA450859 | PharmGKB |
| 979405 | eMolecules |
| pentobarbital | DailyMed |
| HMDB0014457 | Human Metabolome Database |
| C07422 | KEGG Ligand |
| CHEMBL448 | ChEMBL |
| 7983 | ChEBI |
| PENTOBARBITAL | DailyMed |
| PENTOBARBITAL SODIUM | rxnorm |
| 50055935 | BindingDB |
| LATMEA | CCDC |
| J4.552G | Nikkaji |
| 5480 | Guide to Pharmacology |
| 2095 | DrugCentral |
| DTXSID7023435 | EPA CompTox Dashboard |
| I4744080IR | FDA SRS |
| BARPENTAL | clinicaltrials |
| PENTOBARBITAL SODIUM | clinicaltrials |
| PENTOBARBITAL | clinicaltrials |
| PENTAL | clinicaltrials |
| SAGATAL | clinicaltrials |
| DIABUTAL | clinicaltrials |
| NEMBUTAL SODIUM | clinicaltrials |
| NEMBUTAL | clinicaltrials |
| SODIUM PENTOBARBITAL | clinicaltrials |
| PENTOBARBITAL | rxnorm |
| BEUTHANASIA | rxnorm |
| NEMBUTAL | rxnorm |
| DB00312 | DrugBank |
| The data in this table is sourced from UniChem at EBI. | |