Dataset
![molecular Image]()
Thiopental
Chemical Info
| InChI | InChI=1S/C11H18N2O2S/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)NC(=S)N1 |
| InChI Key | IUJDSEJGGMCXSG-UHFFFAOYSA-N |
| Molecular Formula | C11H18N2O2S |
| Exact Mass | 242.109 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-WA000591 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:45:57.630877 |
| MetadataModified | 2024-01-11T22:45:57.784842 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CB5265910 | ChemicalBook |
| HMDB0014737 | Human Metabolome Database |
| PA451664 | PharmGKB |
| 50058058 | BindingDB |
| THIOPENTAL | rxnorm |
| THIOPENTAL SODIUM | rxnorm |
| THIOPENTAL SODIUM | clinicaltrials |
| 2633 | DrugCentral |
| TRAPANAL | clinicaltrials |
| PENTOTHAL | clinicaltrials |
| JI8Z5M7NA3 | FDA SRS |
| DTXSID1023653 | EPA CompTox Dashboard |
| THIOPENTAL | clinicaltrials |
| 3000715 | PubChem |
| PD009898 | ProbesDrugs |
| 14847511 | PubChem: Thomson Pharma |
| 76-75-5 | ACToR |
| 59709-53-4 | ACToR |
| J10.978I | Nikkaji |
| 102166 | ChEBI |
| SCHEMBL1611312 | SureChEMBL |
| DB00599 | DrugBank |
| CHEMBL441 | ChEMBL |
| 2579 | Guide to Pharmacology |
| C07521 | KEGG Ligand |
| 594613 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |