Ethyl 4-[(3,4,5-trimethoxybenzoyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate (CHEM327991)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 13:12:21 UTC | ||||||||
| Update Date | 2026-08-30 13:12:21 UTC | ||||||||
| Accession Number | CHEM327991 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl 4-[(3,4,5-trimethoxybenzoyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Ethyl 4-[(3,4,5-trimethoxybenzoyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate is a chemical compound with the formula C22H26N2O6S. It has an average molecular weight of 446.50 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C22H26N2O6S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 446.151 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Ethyl 4-[(3,4,5-trimethoxybenzoyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)C1=C(SC2=C1C3CCN2CC3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC | ||||||||
| InChI Identifier | InChI=1S/C22H26N2O6S/c1-5-30-22(26)17-16-12-6-8-24(9-7-12)21(16)31-20(17)23-19(25)13-10-14(27-2)18(29-4)15(11-13)28-3/h10-12H,5-9H2,1-4H3,(H,23,25) | ||||||||
| InChI Key | DKARQXMCTKDTCD-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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| 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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
