3-[[4-[[3-[[3-[[4-[(3-carboxy-2-hydroxy-5-sulfophenyl)carbamoyl]phenyl]diazenyl]-2-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]benzoyl]amino]-2-hydroxy-5-sulfobenzoic acid (CHEM352095)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 01:27:40 UTC | ||||||||
| Update Date | 2026-09-01 01:27:40 UTC | ||||||||
| Accession Number | CHEM352095 | ||||||||
| Identification | |||||||||
| Common Name | 3-[[4-[[3-[[3-[[4-[(3-carboxy-2-hydroxy-5-sulfophenyl)carbamoyl]phenyl]diazenyl]-2-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]benzoyl]amino]-2-hydroxy-5-sulfobenzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C43H34N8O15S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 966.159 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-[[4-[[3-[[3-[[4-[(3-carboxy-2-hydroxy-5-sulfophenyl)carbamoyl]phenyl]diazenyl]-2-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]benzoyl]amino]-2-hydroxy-5-sulfobenzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C=CC=C1N=NC2=CC=C(C=C2)C(=O)NC3=CC(=CC(=C3O)C(=O)O)S(=O)(=O)O)NC(=O)NC4=C(C(=CC=C4)N=NC5=CC=C(C=C5)C(=O)NC6=CC(=CC(=C6O)C(=O)O)S(=O)(=O)O)C | ||||||||
| InChI Identifier | InChI=1S/C43H34N8O15S2/c1-21-31(5-3-7-33(21)50-48-25-13-9-23(10-14-25)39(54)44-35-19-27(67(61,62)63)17-29(37(35)52)41(56)57)46-43(60)47-32-6-4-8-34(22(32)2)51-49-26-15-11-24(12-16-26)40(55)45-36-20-28(68(64,65)66)18-30(38(36)53)42(58)59/h3-20,52-53H,1-2H3,(H,44,54)(H,45,55)(H,56,57)(H,58,59)(H2,46,47,60)(H,61,62,63)(H,64,65,66) | ||||||||
| InChI Key | SKWACOFPLKDSPM-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 | ||||||||
