RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0061033 | |
|---|---|---|
| RefMet name | Prazepam | |
| Systematic name | 7-chloro-1-(cyclopropylmethyl)-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 324.102941 (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 | C19H17ClN2O | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 43579 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2 | |
| InChIKey | MWQCHHACWWAQLJ-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | c1ccc(cc1)C1=NCC(=O)N(CC2CC2)c2ccc(cc12)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 Prazepam 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 Prazepam | |
| External Links | ||
| Pubchem CID | 4890 | |
| ChEBI ID | 8362 | |
| KEGG ID | C07366 | |
| HMDB ID | HMDB0015527 | |
| Chemspider ID | 4721 | |
| EPA CompTox | DTXCID101181 | |
| Spectral data for Prazepam standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
