7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methoxy-3-sulfophenyl]diazenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,3,6-trisulfonic acid (CHEM341648)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 08:44:04 UTC | ||||||||
| Update Date | 2026-08-31 08:44:04 UTC | ||||||||
| Accession Number | CHEM341648 | ||||||||
| Identification | |||||||||
| Common Name | 7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methoxy-3-sulfophenyl]diazenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,3,6-trisulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methoxy-3-sulfophenyl]diazenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,3,6-trisulfonic acid is a chemical compound with the formula C27H18ClF2N7O15S4. With an average molecular weight of 882.20 g/mol, 7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methoxy-3-sulfophenyl]diazenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,3,6-trisulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H18ClF2N7O15S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 880.940 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methoxy-3-sulfophenyl]diazenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,3,6-trisulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=C(C=CC(=C1S(=O)(=O)O)NC2=C(C(=NC(=N2)F)F)Cl)N=NC3=CC(=C(C=C3)N=NC4=C(C5=C(C=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)O | ||||||||
| InChI Identifier | InChI=1S/C27H18ClF2N7O15S4/c1-52-23-14(4-5-15(24(23)56(49,50)51)31-26-20(28)25(29)32-27(30)33-26)36-34-11-2-3-13(16(38)8-11)35-37-21-18(55(46,47)48)7-10-6-12(53(40,41)42)9-17(54(43,44)45)19(10)22(21)39/h2-9,38-39H,1H3,(H,31,32,33)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51) | ||||||||
| InChI Key | WYXNSZLGZFGNMW-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
