Dataset
![molecular Image]()
Barbital
Chemical Info
| InChI | InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
|---|---|
| SMILES | CCC(CC)(C(=O)1)C(=O)NC(=O)N1 |
| InChI Key | FTOAOBMCPZCFFF-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2O3 |
| Exact Mass | 184.085 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-WA002343 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:33:59.293445 |
| MetadataModified | 2025-02-09T20:21:10.315551 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL444 | ChEMBL |
| DB01483 | DrugBank |
| 31252 | ChEBI |
| BARBITAL | rxnorm |
| 30506 | Brenda |
| DTXSID5022643 | EPA CompTox Dashboard |
| BARBITAL | clinicaltrials |
| BARBITAL SODIUM | clinicaltrials |
| J2.326D | Nikkaji |
| HMDB0248870 | Human Metabolome Database |
| DETBAA | CCDC |
| 5133 | Brenda |
| BARBITAL SODIUM | rxnorm |
| 289 | DrugCentral |
| 5WZ53ENE2P | FDA SRS |
| ZINC000013545632 | ZINC |
| MCULE-2107172999 | Mcule |
| 10016205 | NMRShiftDB |
| SCHEMBL43818 | SureChEMBL |
| 2294 | PubChem |
| PD000426 | ProbesDrugs |
| 15219736 | PubChem: Thomson Pharma |
| PA448538 | PharmGKB |
| 57-44-3 | ACToR |
| 497365 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |