3-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4h-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonic acid (CHEM347164)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 16:52:49 UTC | ||||||||
| Update Date | 2026-08-31 16:52:49 UTC | ||||||||
| Accession Number | CHEM347164 | ||||||||
| Identification | |||||||||
| Common Name | 3-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4h-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4h-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonic acid has the chemical formula C31H25N9O9S. With an average molecular weight of 699.70 g/mol, 3-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4h-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C31H25N9O9S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 699.150 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4h-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=NN(C(=O)C1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N4C(=O)C(C(=N4)C)N=NC5=C6C=CC(=CC6=C(C=C5O)S(=O)(=O)O)[N+](=O)[O-] | ||||||||
| InChI Identifier | InChI=1S/C31H25N9O9S/c1-16-13-27(42)38(36-16)20-7-3-18(4-8-20)32-31(44)33-19-5-9-21(10-6-19)39-30(43)28(17(2)37-39)34-35-29-23-12-11-22(40(45)46)14-24(23)26(15-25(29)41)50(47,48)49/h3-12,14-15,28,41H,13H2,1-2H3,(H2,32,33,44)(H,47,48,49) | ||||||||
| InChI Key | KDLCBDNPDWVMQR-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 | ||||||||
