4-[(4-chlorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]azepan-4-yl]phthalazin-1-one (CHEM346446)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:41:35 UTC | ||||||||
| Update Date | 2026-08-31 15:41:35 UTC | ||||||||
| Accession Number | CHEM346446 | ||||||||
| Identification | |||||||||
| Common Name | 4-[(4-chlorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]azepan-4-yl]phthalazin-1-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[(4-chlorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]azepan-4-yl]phthalazin-1-one is a chemical compound with the formula C30H31ClFN3O. With an average molecular weight of 504.00 g/mol, 4-[(4-chlorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]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 | C30H31ClFN3O | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 503.214 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[(4-chlorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]azepan-4-yl]phthalazin-1-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1CC(CCN(C1)CCCC2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl | ||||||||
| InChI Identifier | InChI=1S/C30H31ClFN3O/c31-24-13-9-23(10-14-24)21-29-27-7-1-2-8-28(27)30(36)35(33-29)26-6-4-19-34(20-17-26)18-3-5-22-11-15-25(32)16-12-22/h1-2,7-16,26H,3-6,17-21H2 | ||||||||
| InChI Key | JLTHWGMQOSWTQF-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 | ||||||||
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| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
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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 | ||||||||
