4-[(4-chlorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]azepan-4-yl]phthalazin-1-one (CHEM343821)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 11:47:08 UTC | ||||||||
| Update Date | 2026-08-31 11:47:08 UTC | ||||||||
| Accession Number | CHEM343821 | ||||||||
| Identification | |||||||||
| Common Name | 4-[(4-chlorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]azepan-4-yl]phthalazin-1-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[(4-chlorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]azepan-4-yl]phthalazin-1-one is a chemical compound with the formula C28H27ClFN3O. It has an average molecular weight of 476.00 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H27ClFN3O | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 475.183 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[(4-chlorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]azepan-4-yl]phthalazin-1-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1CC(CCN(C1)CC2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl | ||||||||
| InChI Identifier | InChI=1S/C28H27ClFN3O/c29-22-11-7-20(8-12-22)18-27-25-5-1-2-6-26(25)28(34)33(31-27)24-4-3-16-32(17-15-24)19-21-9-13-23(30)14-10-21/h1-2,5-14,24H,3-4,15-19H2 | ||||||||
| InChI Key | KODKFUGROCDHAP-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 | ||||||||
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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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
