2-[[[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-hydroxy-5-sulfophenyl]diazenyl]-phenylmethyl]diazenyl]-5-sulfobenzoic acid (CHEM333691)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 20:45:47 UTC | ||||||||
| Update Date | 2026-08-30 20:45:47 UTC | ||||||||
| Accession Number | CHEM333691 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-hydroxy-5-sulfophenyl]diazenyl]-phenylmethyl]diazenyl]-5-sulfobenzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[[[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-hydroxy-5-sulfophenyl]diazenyl]-phenylmethyl]diazenyl]-5-sulfobenzoic acid has the chemical formula C24H16ClF2N7O9S2. With an average molecular weight of 684.00 g/mol, 2-[[[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-hydroxy-5-sulfophenyl]diazenyl]-phenylmethyl]diazenyl]-5-sulfobenzoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C24H16ClF2N7O9S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 683.011 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[[[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-hydroxy-5-sulfophenyl]diazenyl]-phenylmethyl]diazenyl]-5-sulfobenzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC=C(C=C1)C(N=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)N=NC3=CC(=CC(=C3O)NC4=C(C(=NC(=N4)F)F)Cl)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C24H16ClF2N7O9S2/c25-18-20(26)29-24(27)30-22(18)28-16-9-13(45(41,42)43)10-17(19(16)35)32-34-21(11-4-2-1-3-5-11)33-31-15-7-6-12(44(38,39)40)8-14(15)23(36)37/h1-10,21,35H,(H,36,37)(H,28,29,30)(H,38,39,40)(H,41,42,43) | ||||||||
| InChI Key | XVJLKNSTIBVJLF-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 | ||||||||
