1-methyl-4-(3-pyrrolidin-1-ylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine (CHEM332586)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 19:14:15 UTC | ||||||||
| Update Date | 2026-08-30 19:14:15 UTC | ||||||||
| Accession Number | CHEM332586 | ||||||||
| Identification | |||||||||
| Common Name | 1-methyl-4-(3-pyrrolidin-1-ylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine | ||||||||
| Class | Small Molecule | ||||||||
| Description | 1-methyl-4-(3-pyrrolidin-1-ylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine is a compound with the chemical formula C23H29N3O2S2. It has an average molecular weight of 443.60 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C23H29N3O2S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 443.170 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 1-methyl-4-(3-pyrrolidin-1-ylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N5CCCC5 | ||||||||
| InChI Identifier | InChI=1S/C23H29N3O2S2/c1-24-12-14-25(15-13-24)21-16-18-6-2-3-7-22(18)29-23-9-8-19(17-20(21)23)30(27,28)26-10-4-5-11-26/h2-3,6-9,17,21H,4-5,10-16H2,1H3 | ||||||||
| InChI Key | UJHUXFOELIOZBW-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 | ||||||||
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| 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 | ||||||||
