Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate (CHEM080393)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 19:59:28 UTC | ||||||||
| Update Date | 2026-08-19 23:10:00 UTC | ||||||||
| Accession Number | CHEM080393 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C18H15ClN2O3 and an average molecular weight of 342.78 g/mol. It is further classified under the superclass of organic acids and derivatives. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H15ClN2O3 | ||||||||
| Average Molecular Mass | 342.780 g/mol | ||||||||
| Monoisotopic Mass | 342.077 g/mol | ||||||||
| CAS Registry Number | 5606-55-3 | ||||||||
| IUPAC Name | ethyl 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)C1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N=C1O | ||||||||
| InChI Identifier | InChI=1/C18H15ClN2O3/c1-2-24-18(23)16-17(22)20-14-9-8-12(19)10-13(14)15(21-16)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3,(H,20,22) | ||||||||
| InChI Key | DTKOQJNQMOCKQU-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
