4-[4-[[3-hydroxy-4-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1h-pyrazol-4-yl]diazenyl]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-methylbenzenesulfonic acid (CHEM343804)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 11:45:52 UTC | ||||||||
| Update Date | 2026-08-31 11:45:52 UTC | ||||||||
| Accession Number | CHEM343804 | ||||||||
| Identification | |||||||||
| Common Name | 4-[4-[[3-hydroxy-4-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1h-pyrazol-4-yl]diazenyl]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-methylbenzenesulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[4-[[3-hydroxy-4-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1h-pyrazol-4-yl]diazenyl]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-methylbenzenesulfonic acid has the chemical formula C28H26N8O9S2. With an average molecular weight of 682.70 g/mol, 4-[4-[[3-hydroxy-4-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1h-pyrazol-4-yl]diazenyl]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-methylbenzenesulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H26N8O9S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 682.126 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[4-[[3-hydroxy-4-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1h-pyrazol-4-yl]diazenyl]phenyl]diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]-3-methylbenzenesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)C(C(=N2)C)N=NC3=CC(=C(C=C3)N=NC4=C(NN(C4=O)C5=C(C=C(C=C5)S(=O)(=O)O)C)C)O | ||||||||
| InChI Identifier | InChI=1S/C28H26N8O9S2/c1-14-11-19(46(40,41)42)6-9-22(14)35-27(38)25(16(3)33-35)31-29-18-5-8-21(24(37)13-18)30-32-26-17(4)34-36(28(26)39)23-10-7-20(12-15(23)2)47(43,44)45/h5-13,25,34,37H,1-4H3,(H,40,41,42)(H,43,44,45) | ||||||||
| InChI Key | GCMDHFUWORGOCI-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 | ||||||||
