2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol (CHEM318399)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 22:38:36 UTC | ||||||||
| Update Date | 2026-08-29 22:38:36 UTC | ||||||||
| Accession Number | CHEM318399 | ||||||||
| Identification | |||||||||
| Common Name | 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol is a chemical compound with the formula C20H23ClN2O3S. It has an average molecular weight of 406.90 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H23ClN2O3S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 406.112 g/mol | ||||||||
| CAS Registry Number | 73225-76-0 | ||||||||
| IUPAC Name | 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1C[N+](CCN1C2CC3=C(C=CC(=C3)Cl)S(=O)C4=CC=CC=C24)(CCO)[O-] | ||||||||
| InChI Identifier | InChI=1S/C20H23ClN2O3S/c21-16-5-6-19-15(13-16)14-18(17-3-1-2-4-20(17)27(19)26)22-7-9-23(25,10-8-22)11-12-24/h1-6,13,18,24H,7-12,14H2 | ||||||||
| InChI Key | OCIFGRNVUJBEKO-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 | |||||||||
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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 | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
