4-(3-chloro-9-fluoro-7-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-(4-fluorophenyl)butan-1-one (CHEM343819)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 11:46:58 UTC | ||||||||
| Update Date | 2026-08-31 11:46:58 UTC | ||||||||
| Accession Number | CHEM343819 | ||||||||
| Identification | |||||||||
| Common Name | 4-(3-chloro-9-fluoro-7-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-(4-fluorophenyl)butan-1-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-(3-chloro-9-fluoro-7-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-(4-fluorophenyl)butan-1-one is a chemical compound with the formula C28H27ClF2N2OS. With an average molecular weight of 513.00 g/mol, 4-(3-chloro-9-fluoro-7-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-(4-fluorophenyl)butan-1-one is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H27ClF2N2OS | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 512.150 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-(3-chloro-9-fluoro-7-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-(4-fluorophenyl)butan-1-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1CN(CCN1)C2=C3CC(C4=C(C=CC(=C4)Cl)SC3=CC(=C2)F)CCCC(=O)C5=CC=C(C=C5)F | ||||||||
| InChI Identifier | InChI=1S/C28H27ClF2N2OS/c29-20-6-9-27-23(15-20)19(2-1-3-26(34)18-4-7-21(30)8-5-18)14-24-25(33-12-10-32-11-13-33)16-22(31)17-28(24)35-27/h4-9,15-17,19,32H,1-3,10-14H2 | ||||||||
| InChI Key | XHBGNWSDPMRGFC-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 | ||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
