Dataset
![molecular Image]()
Phenobarbital
Chemical Info
| InChI | InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) |
|---|---|
| SMILES | CCC(C(=O)2)(C(=O)NC(=O)N2)c(c1)cccc1 |
| InChI Key | DDBREPKUVSBGFI-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O3 |
| Exact Mass | 232.085 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-WA001227 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:47:53.039814 |
| MetadataModified | 2024-01-11T22:47:53.200589 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-1782264021 | Mcule |
| DTXSID5021122 | EPA CompTox Dashboard |
| 2134 | DrugCentral |
| PHENOBARBITAL | DailyMed |
| UQA | PDBe |
| PHENOBARBITAL | rxnorm |
| PHENOBARBITAL SODIUM | rxnorm |
| GARDENAL | clinicaltrials |
| PHENOBARBITAL | clinicaltrials |
| PHENOBARBITAL SODIUM | clinicaltrials |
| LUMINAL | clinicaltrials |
| phenobarbital | DailyMed |
| ZINC000095588079 | ZINC |
| 94712 | Brenda |
| 1475 | Brenda |
| 15913 | Brenda |
| 50021437 | BindingDB |
| HMDB0015305 | Human Metabolome Database |
| 4763 | PubChem |
| PD009761 | ProbesDrugs |
| phenobarbital | Atlas |
| YQE403BP4D | FDA SRS |
| 50-06-6 | ACToR |
| 11097-06-6 | ACToR |
| PA450911 | PharmGKB |
| 14822944 | PubChem: Thomson Pharma |
| SCHEMBL16583 | SureChEMBL |
| 10017815 | NMRShiftDB |
| PHBARB | CCDC |
| J4.499G | Nikkaji |
| 975043 | eMolecules |
| CHEMBL40 | ChEMBL |
| DB01174 | DrugBank |
| C07434 | KEGG Ligand |
| 2804 | Guide to Pharmacology |
| 8069 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |