4-[(e)-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-2-ethoxyphenol (CHEM342389)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 09:58:05 UTC | ||||||||
| Update Date | 2026-08-31 09:58:05 UTC | ||||||||
| Accession Number | CHEM342389 | ||||||||
| Identification | |||||||||
| Common Name | 4-[(e)-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-2-ethoxyphenol | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[(e)-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-2-ethoxyphenol is a chemical compound with the formula C27H28ClN3O2S. It has an average molecular weight of 494.00 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H28ClN3O2S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 493.159 g/mol | ||||||||
| CAS Registry Number | 86759-02-6 | ||||||||
| IUPAC Name | 4-[(e)-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]iminomethyl]-2-ethoxyphenol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC1=C(C=CC(=C1)C=NN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O | ||||||||
| InChI Identifier | InChI=1S/C27H28ClN3O2S/c1-2-33-25-15-19(7-9-24(25)32)18-29-31-13-11-30(12-14-31)23-16-20-5-3-4-6-26(20)34-27-10-8-21(28)17-22(23)27/h3-10,15,17-18,23,32H,2,11-14,16H2,1H3/b29-18+ | ||||||||
| InChI Key | AWZZFQYLVCJQTG-RDRPBHBLSA-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 | ||||||||
