3-[[4,6-bis(3-carboxy-2-hydroxy-5-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfobenzoic acid (CHEM333909)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 21:02:15 UTC | ||||||||
| Update Date | 2026-08-30 21:02:15 UTC | ||||||||
| Accession Number | CHEM333909 | ||||||||
| Identification | |||||||||
| Common Name | 3-[[4,6-bis(3-carboxy-2-hydroxy-5-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfobenzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[[4,6-bis(3-carboxy-2-hydroxy-5-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfobenzoic acid has the chemical formula C24H18N6O18S3. With an average molecular weight of 774.60 g/mol, 3-[[4,6-bis(3-carboxy-2-hydroxy-5-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfobenzoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C24H18N6O18S3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 773.984 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-[[4,6-bis(3-carboxy-2-hydroxy-5-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfobenzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=C(C=C(C(=C1C(=O)O)O)NC2=NC(=NC(=N2)NC3=CC(=CC(=C3O)C(=O)O)S(=O)(=O)O)NC4=CC(=CC(=C4O)C(=O)O)S(=O)(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C24H18N6O18S3/c31-16-10(19(34)35)1-7(49(40,41)42)4-13(16)25-22-28-23(26-14-5-8(50(43,44)45)2-11(17(14)32)20(36)37)30-24(29-22)27-15-6-9(51(46,47)48)3-12(18(15)33)21(38)39/h1-6,31-33H,(H,34,35)(H,36,37)(H,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H3,25,26,27,28,29,30) | ||||||||
| InChI Key | YLSMKTQVBIUBLQ-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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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
