3-[4-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]propanoic acid (CHEM317270)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 20:49:26 UTC | ||||||||
| Update Date | 2026-08-29 20:49:26 UTC | ||||||||
| Accession Number | CHEM317270 | ||||||||
| Identification | |||||||||
| Common Name | 3-[4-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]propanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[4-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]propanoic acid is a chemical compound with the formula C20H19I3N2O4. With an average molecular weight of 732.10 g/mol, 3-[4-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]propanoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H19I3N2O4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 731.848 g/mol | ||||||||
| CAS Registry Number | 22708-45-8 | ||||||||
| IUPAC Name | 3-[4-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]propanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCN(C1=C(C=C(C(=C1I)C(=O)NC2=CC=C(C=C2)CCC(=O)O)I)I)C(=O)C | ||||||||
| InChI Identifier | InChI=1S/C20H19I3N2O4/c1-3-25(11(2)26)19-15(22)10-14(21)17(18(19)23)20(29)24-13-7-4-12(5-8-13)6-9-16(27)28/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,24,29)(H,27,28) | ||||||||
| InChI Key | XWTKEJJYSRRQPC-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 | |||||||||
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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 | ||||||||
