N-[4-(4-bromobenzoyl)-12,12-dimethyl-8-phenyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-3-yl]-2,2,2-trichloroacetamide (CHEM341710)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 08:49:20 UTC | ||||||||
| Update Date | 2026-08-31 08:49:20 UTC | ||||||||
| Accession Number | CHEM341710 | ||||||||
| Identification | |||||||||
| Common Name | N-[4-(4-bromobenzoyl)-12,12-dimethyl-8-phenyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-3-yl]-2,2,2-trichloroacetamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | N-[4-(4-bromobenzoyl)-12,12-dimethyl-8-phenyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-3-yl]-2,2,2-trichloroacetamide is a chemical compound with the formula C27H20BrCl3N2O4. With an average molecular weight of 622.70 g/mol, N-[4-(4-bromobenzoyl)-12,12-dimethyl-8-phenyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-3-yl]-2,2,2-trichloroacetamide is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H20BrCl3N2O4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 619.967 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | N-[4-(4-bromobenzoyl)-12,12-dimethyl-8-phenyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-3-yl]-2,2,2-trichloroacetamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C(=C(O3)C(=O)C4=CC=C(C=C4)Br)NC(=O)C(Cl)(Cl)Cl)C5=CC=CC=C5)C | ||||||||
| InChI Identifier | InChI=1S/C27H20BrCl3N2O4/c1-26(2)12-17-18(13-36-26)20(14-6-4-3-5-7-14)32-24-19(17)21(33-25(35)27(29,30)31)23(37-24)22(34)15-8-10-16(28)11-9-15/h3-11H,12-13H2,1-2H3,(H,33,35) | ||||||||
| InChI Key | OCBBQTJOVSMLMP-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
