3-[[1-[4-[[2-[(5-carboxy-2-chlorophenyl)diazenyl]-3-oxobutanoyl]amino]-2,5-dimethylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-chlorobenzoic acid (CHEM346240)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:21:52 UTC | ||||||||
| Update Date | 2026-08-31 15:21:52 UTC | ||||||||
| Accession Number | CHEM346240 | ||||||||
| Identification | |||||||||
| Common Name | 3-[[1-[4-[[2-[(5-carboxy-2-chlorophenyl)diazenyl]-3-oxobutanoyl]amino]-2,5-dimethylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-chlorobenzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[[1-[4-[[2-[(5-carboxy-2-chlorophenyl)diazenyl]-3-oxobutanoyl]amino]-2,5-dimethylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-chlorobenzoic acid has the chemical formula C30H26Cl2N6O8. With an average molecular weight of 669.50 g/mol, 3-[[1-[4-[[2-[(5-carboxy-2-chlorophenyl)diazenyl]-3-oxobutanoyl]amino]-2,5-dimethylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-chlorobenzoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H26Cl2N6O8 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 668.119 g/mol | ||||||||
| CAS Registry Number | 74351-78-3 | ||||||||
| IUPAC Name | 3-[[1-[4-[[2-[(5-carboxy-2-chlorophenyl)diazenyl]-3-oxobutanoyl]amino]-2,5-dimethylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-chlorobenzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC(=C(C=C1NC(=O)C(C(=O)C)N=NC2=C(C=CC(=C2)C(=O)O)Cl)C)NC(=O)C(C(=O)C)N=NC3=C(C=CC(=C3)C(=O)O)Cl | ||||||||
| InChI Identifier | InChI=1S/C30H26Cl2N6O8/c1-13-9-22(34-28(42)26(16(4)40)38-36-24-12-18(30(45)46)6-8-20(24)32)14(2)10-21(13)33-27(41)25(15(3)39)37-35-23-11-17(29(43)44)5-7-19(23)31/h5-12,25-26H,1-4H3,(H,33,41)(H,34,42)(H,43,44)(H,45,46) | ||||||||
| InChI Key | MFNRAHKNWDJWME-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 | ||||||||
