N-(4-fluorophenyl)-4-methoxy-7-[(12e)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-1,1-dioxo-1-benzothiophen-3-amine (CHEM345184)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 13:49:20 UTC | ||||||||
| Update Date | 2026-08-31 13:49:20 UTC | ||||||||
| Accession Number | CHEM345184 | ||||||||
| Identification | |||||||||
| Common Name | N-(4-fluorophenyl)-4-methoxy-7-[(12e)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-1,1-dioxo-1-benzothiophen-3-amine | ||||||||
| Class | Small Molecule | ||||||||
| Description | N-(4-fluorophenyl)-4-methoxy-7-[(12e)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-1,1-dioxo-1-benzothiophen-3-amine is a chemical compound with the formula C29H27FN2O5S. With an average molecular weight of 534.60 g/mol, N-(4-fluorophenyl)-4-methoxy-7-[(12e)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-1,1-dioxo-1-benzothiophen-3-amine is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H27FN2O5S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 534.162 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | N-(4-fluorophenyl)-4-methoxy-7-[(12e)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-1,1-dioxo-1-benzothiophen-3-amine | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1CCC2C3=C1C(C=NC=C(C3=CO2)OC)C4=C5C(=C(C=C4)OC)C(=CS5(=O)=O)NC6=CC=C(C=C6)F | ||||||||
| InChI Identifier | InChI=1S/C29H27FN2O5S/c1-16-4-10-24-27-21(14-37-24)25(36-3)13-31-12-20(26(16)27)19-9-11-23(35-2)28-22(15-38(33,34)29(19)28)32-18-7-5-17(30)6-8-18/h5-9,11-16,20,24,32H,4,10H2,1-3H3/b25-13+,31-12? | ||||||||
| InChI Key | BUIMNULEJKHGEG-MMMBWKPUSA-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 | ||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
