4-[(4-fluorophenyl)methyl]-2-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]phthalazin-1-one (CHEM346380)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:35:18 UTC | ||||||||
| Update Date | 2026-08-31 15:35:18 UTC | ||||||||
| Accession Number | CHEM346380 | ||||||||
| Identification | |||||||||
| Common Name | 4-[(4-fluorophenyl)methyl]-2-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]phthalazin-1-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[(4-fluorophenyl)methyl]-2-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]phthalazin-1-one is a chemical compound with the formula C30H29F4N3O. With an average molecular weight of 523.60 g/mol, 4-[(4-fluorophenyl)methyl]-2-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]phthalazin-1-one is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H29F4N3O | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 523.225 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[(4-fluorophenyl)methyl]-2-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]phthalazin-1-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1CC(CCN(C1)CCC2=CC(=CC=C2)C(F)(F)F)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F | ||||||||
| InChI Identifier | InChI=1S/C30H29F4N3O/c31-24-12-10-22(11-13-24)20-28-26-8-1-2-9-27(26)29(38)37(35-28)25-7-4-16-36(18-15-25)17-14-21-5-3-6-23(19-21)30(32,33)34/h1-3,5-6,8-13,19,25H,4,7,14-18,20H2 | ||||||||
| InChI Key | AATWNLJMROIPCT-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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| 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 | ||||||||
