RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0033167 | |
|---|---|---|
| RefMet name | Thiopental | |
| Systematic name | 5-ethyl-5-(pentan-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 242.108900 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C11H18N2O2S | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 42929 (Download molfile/View MW Metabolite Database details) | |
| 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) | |
| InChIKey | IUJDSEJGGMCXSG-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CCCC(C)C1(CC)C(=O)NC(=S)NC1=O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Nucleic acids | |
| Main Class | Pyrimidines | |
| Sub Class | Pyrimidinethiones | |
| Distribution of Thiopental in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting Thiopental | |
| External Links | ||
| Pubchem CID | 3000715 | |
| ChEBI ID | 102166 | |
| KEGG ID | C07521 | |
| HMDB ID | HMDB0014737 | |
| Chemspider ID | 2272258 | |
| EPA CompTox | DTXCID203653 | |
| Spectral data for Thiopental standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
