1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-methyl-1,3-dioxolan-2-yl)ethyl]piperazine (CHEM335550)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 23:00:58 UTC | ||||||||
| Update Date | 2026-08-30 23:00:58 UTC | ||||||||
| Accession Number | CHEM335550 | ||||||||
| Identification | |||||||||
| Common Name | 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-methyl-1,3-dioxolan-2-yl)ethyl]piperazine | ||||||||
| Class | Small Molecule | ||||||||
| Description | 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-methyl-1,3-dioxolan-2-yl)ethyl]piperazine is a chemical compound with the formula C24H28ClFN2O2S. It has an average molecular weight of 463.00 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C24H28ClFN2O2S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 462.154 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-methyl-1,3-dioxolan-2-yl)ethyl]piperazine | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1COC(O1)CCN2CCN(CC2)C3CC4=C(C=C(C=C4)F)SC5=C3C=C(C=C5)Cl | ||||||||
| InChI Identifier | InChI=1S/C24H28ClFN2O2S/c1-16-15-29-24(30-16)6-7-27-8-10-28(11-9-27)21-12-17-2-4-19(26)14-23(17)31-22-5-3-18(25)13-20(21)22/h2-5,13-14,16,21,24H,6-12,15H2,1H3 | ||||||||
| InChI Key | GPOBCCSKOAJNDL-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 | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
