3-[(butanoylamino)methyl]-5-[[8-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid (CHEM348137)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 18:28:34 UTC | ||||||||
| Update Date | 2026-08-31 18:28:34 UTC | ||||||||
| Accession Number | CHEM348137 | ||||||||
| Identification | |||||||||
| Common Name | 3-[(butanoylamino)methyl]-5-[[8-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[(butanoylamino)methyl]-5-[[8-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid has the chemical formula C32H36I6N4O8. With an average molecular weight of 1,366 g/mol, 3-[(butanoylamino)methyl]-5-[[8-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C32H36I6N4O8 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1365.680 g/mol | ||||||||
| CAS Registry Number | 25903-30-4 | ||||||||
| IUPAC Name | 3-[(butanoylamino)methyl]-5-[[8-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I | ||||||||
| InChI Identifier | InChI=1S/C32H36I6N4O8/c1-3-9-17(43)39-13-15-23(33)21(31(47)48)27(37)29(25(15)35)41-19(45)11-7-5-6-8-12-20(46)42-30-26(36)16(14-40-18(44)10-4-2)24(34)22(28(30)38)32(49)50/h3-14H2,1-2H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)(H,47,48)(H,49,50) | ||||||||
| InChI Key | MRHTZPNCRQXRHS-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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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
