5-[[3-carboxy-4-[[1-(2-methoxy-5-sulfoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfoanilino)butan-2-yl]diazenyl]benzoic acid (CHEM349915)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 21:17:34 UTC | ||||||||
| Update Date | 2026-08-31 21:17:34 UTC | ||||||||
| Accession Number | CHEM349915 | ||||||||
| Identification | |||||||||
| Common Name | 5-[[3-carboxy-4-[[1-(2-methoxy-5-sulfoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfoanilino)butan-2-yl]diazenyl]benzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C36H32N8O16S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 896.138 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 5-[[3-carboxy-4-[[1-(2-methoxy-5-sulfoanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfoanilino)butan-2-yl]diazenyl]benzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)O)N=NC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)O)OC)C(=O)O)C(=O)O | ||||||||
| InChI Identifier | InChI=1S/C36H32N8O16S2/c1-17(45)30(32(47)37-19-4-8-22(9-5-19)61(54,55)56)43-41-26-11-6-20(14-24(26)34(49)50)38-36(53)39-21-7-12-27(25(15-21)35(51)52)42-44-31(18(2)46)33(48)40-28-16-23(62(57,58)59)10-13-29(28)60-3/h4-16,30-31H,1-3H3,(H,37,47)(H,40,48)(H,49,50)(H,51,52)(H2,38,39,53)(H,54,55,56)(H,57,58,59) | ||||||||
| InChI Key | IMFBYRSMJHNYFR-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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
