2-[1-Oxophthalazin-2(1H)-yl]ethyl 4-(trifluoromethoxy)benzoate (CHEM061789)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 05:15:02 UTC | ||||||||
| Update Date | 2026-04-03 05:15:02 UTC | ||||||||
| Accession Number | CHEM061789 | ||||||||
| Identification | |||||||||
| Common Name | 2-[1-Oxophthalazin-2(1H)-yl]ethyl 4-(trifluoromethoxy)benzoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[1-Oxophthalazin-2(1H)-yl]ethyl 4-(trifluoromethoxy)benzoate belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. It is classified as an organoheterocyclic compound with the chemical formula C18H13F3N2O4. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C18H13F3N2O4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 378.083 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-(1-oxophthalazin-2-yl)ethyl 4-(trifluoromethoxy)benzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C18H13F3N2O4/c19-18(20,21)27-14-7-5-12(6-8-14)17(25)26-10-9-23-16(24)15-4-2-1-3-13(15)11-22-23/h1-8,11H,9-10H2 | ||||||||
| InChI Key | VNYVHMIPYUGSDB-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as phthalazinones. Phthalazinones are compounds containing a phthalazine bearing a ketone group. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organoheterocyclic compounds | ||||||||
| Class | Diazanaphthalenes | ||||||||
| Sub Class | Benzodiazines | ||||||||
| Direct Parent | Phthalazinones | ||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| 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 | Not Available | ||||||||
| 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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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 2826284 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
