RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0108739 | |
|---|---|---|
| RefMet name | Diazepam | |
| Systematic name | 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 284.071641 (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 | C16H13ClN2O | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 43117 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | |
| InChIKey | AAOVKJBEBIDNHE-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)Cl
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Alkaloids | |
| Main Class | Anthranilic acid alkaloids | |
| Sub Class | Benzodiazepine alkaloids | |
| Distribution of Diazepam 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 Diazepam | |
| External Links | ||
| Pubchem CID | 3016 | |
| ChEBI ID | 49575 | |
| KEGG ID | C06948 | |
| HMDB ID | HMDB0014967 | |
| Chemspider ID | 2908 | |
| EPA CompTox | DTXCID20406 | |
| Spectral data for Diazepam standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
