2-[[6-[[7-[(2-carboxyphenyl)diazenyl]-8-hydroxy-3,6-disulfonaphthalen-1-yl]amino]-4-oxo-1h-1,3,5-triazin-2-yl]amino]benzoic acid (CHEM341704)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 08:48:35 UTC | ||||||||
| Update Date | 2026-08-31 08:48:35 UTC | ||||||||
| Accession Number | CHEM341704 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[6-[[7-[(2-carboxyphenyl)diazenyl]-8-hydroxy-3,6-disulfonaphthalen-1-yl]amino]-4-oxo-1h-1,3,5-triazin-2-yl]amino]benzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[[6-[[7-[(2-carboxyphenyl)diazenyl]-8-hydroxy-3,6-disulfonaphthalen-1-yl]amino]-4-oxo-1h-1,3,5-triazin-2-yl]amino]benzoic acid has the chemical formula C27H19N7O12S2. With an average molecular weight of 697.60 g/mol, 2-[[6-[[7-[(2-carboxyphenyl)diazenyl]-8-hydroxy-3,6-disulfonaphthalen-1-yl]amino]-4-oxo-1h-1,3,5-triazin-2-yl]amino]benzoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H19N7O12S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 697.053 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[[6-[[7-[(2-carboxyphenyl)diazenyl]-8-hydroxy-3,6-disulfonaphthalen-1-yl]amino]-4-oxo-1h-1,3,5-triazin-2-yl]amino]benzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=NC(=O)N=C(N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=CC=CC=C5C(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C27H19N7O12S2/c35-22-20-12(10-19(48(44,45)46)21(22)34-33-17-8-4-2-6-15(17)24(38)39)9-13(47(41,42)43)11-18(20)29-26-30-25(31-27(40)32-26)28-16-7-3-1-5-14(16)23(36)37/h1-11,35H,(H,36,37)(H,38,39)(H,41,42,43)(H,44,45,46)(H3,28,29,30,31,32,40) | ||||||||
| InChI Key | ZBSNVMURHJTEMX-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 | ||||||||
