2-phenylethyl 2-(11-oxo-6a,7,8,9,10,10a-hexahydro-6h-benzo[c][1]benzothiepin-3-yl)propanoate (CHEM338348)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 03:24:25 UTC | ||||||||
| Update Date | 2026-08-31 03:24:25 UTC | ||||||||
| Accession Number | CHEM338348 | ||||||||
| Identification | |||||||||
| Common Name | 2-phenylethyl 2-(11-oxo-6a,7,8,9,10,10a-hexahydro-6h-benzo[c][1]benzothiepin-3-yl)propanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H28O3S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 408.176 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-phenylethyl 2-(11-oxo-6a,7,8,9,10,10a-hexahydro-6h-benzo[c][1]benzothiepin-3-yl)propanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C1=CC2=C(C=C1)C(=O)C3CCCCC3CS2)C(=O)OCCC4=CC=CC=C4 | ||||||||
| InChI Identifier | InChI=1S/C25H28O3S/c1-17(25(27)28-14-13-18-7-3-2-4-8-18)19-11-12-22-23(15-19)29-16-20-9-5-6-10-21(20)24(22)26/h2-4,7-8,11-12,15,17,20-21H,5-6,9-10,13-14,16H2,1H3 | ||||||||
| InChI Key | YMNUQLHCSOVTHI-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 | ||||||||
