5-[[3-carboxy-4-[[1,3-dioxo-1-(4-sulfoanilino)butan-2-yl]diazenyl]phenyl]carbamoylamino]-2-[[1,3-dioxo-1-(4-sulfoanilino)butan-2-yl]diazenyl]benzoic acid (CHEM349552)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 20:41:10 UTC | ||||||||
| Update Date | 2026-08-31 20:41:10 UTC | ||||||||
| Accession Number | CHEM349552 | ||||||||
| Identification | |||||||||
| Common Name | 5-[[3-carboxy-4-[[1,3-dioxo-1-(4-sulfoanilino)butan-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 | C35H30N8O15S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 866.127 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 5-[[3-carboxy-4-[[1,3-dioxo-1-(4-sulfoanilino)butan-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=CC=C(C=C4)S(=O)(=O)O)C(=O)O)C(=O)O | ||||||||
| InChI Identifier | InChI=1S/C35H30N8O15S2/c1-17(44)29(31(46)36-19-3-9-23(10-4-19)59(53,54)55)42-40-27-13-7-21(15-25(27)33(48)49)38-35(52)39-22-8-14-28(26(16-22)34(50)51)41-43-30(18(2)45)32(47)37-20-5-11-24(12-6-20)60(56,57)58/h3-16,29-30H,1-2H3,(H,36,46)(H,37,47)(H,48,49)(H,50,51)(H2,38,39,52)(H,53,54,55)(H,56,57,58) | ||||||||
| InChI Key | SNBXVOZJAOQZAV-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 | ||||||||
