3-[[1-(2,5-disulfophenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-1,5-disulfonic acid (CHEM333689)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 20:45:39 UTC | ||||||||
| Update Date | 2026-08-30 20:45:39 UTC | ||||||||
| Accession Number | CHEM333689 | ||||||||
| Identification | |||||||||
| Common Name | 3-[[1-(2,5-disulfophenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-1,5-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[[1-(2,5-disulfophenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-1,5-disulfonic acid has the chemical formula C24H16Cl3N7O13S4. With an average molecular weight of 845.00 g/mol, 3-[[1-(2,5-disulfophenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-1,5-disulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C24H16Cl3N7O13S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 842.875 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-[[1-(2,5-disulfophenyl)-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-1,5-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=NN(C(=O)C1N=NC2=CC3=C(C=C(C=C3S(=O)(=O)O)NC4=C(C(=NC(=N4)Cl)Cl)Cl)C(=C2)S(=O)(=O)O)C5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C24H16Cl3N7O13S4/c1-9-20(23(35)34(33-9)15-8-12(48(36,37)38)2-3-16(15)49(39,40)41)32-31-11-5-14-13(18(7-11)51(45,46)47)4-10(6-17(14)50(42,43)44)28-22-19(25)21(26)29-24(27)30-22/h2-8,20H,1H3,(H,28,29,30)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47) | ||||||||
| InChI Key | XKPMSUUTDBUCFU-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 | ||||||||
