3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-piperidin-1-ylpropan-1-one (CHEM331489)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 17:48:00 UTC | ||||||||
| Update Date | 2026-08-30 17:48:00 UTC | ||||||||
| Accession Number | CHEM331489 | ||||||||
| Identification | |||||||||
| Common Name | 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-piperidin-1-ylpropan-1-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-piperidin-1-ylpropan-1-one is a chemical compound with the formula C23H24ClN5OS. It has an average molecular weight of 454.00 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C23H24ClN5OS | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 453.139 g/mol | ||||||||
| CAS Registry Number | 105219-66-7 | ||||||||
| IUPAC Name | 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-piperidin-1-ylpropan-1-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCCCC4)C(=NC2)C5=CC=CC=C5Cl | ||||||||
| InChI Identifier | InChI=1S/C23H24ClN5OS/c1-15-26-27-20-14-25-22(17-7-3-4-8-19(17)24)18-13-16(31-23(18)29(15)20)9-10-21(30)28-11-5-2-6-12-28/h3-4,7-8,13H,2,5-6,9-12,14H2,1H3 | ||||||||
| InChI Key | ZWUMCOQJMUYQBM-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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
