8-hydroxy-7-[[2-hydroxy-4-[[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfophenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid (CHEM341868)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 09:09:59 UTC | ||||||||
| Update Date | 2026-08-31 09:09:59 UTC | ||||||||
| Accession Number | CHEM341868 | ||||||||
| Identification | |||||||||
| Common Name | 8-hydroxy-7-[[2-hydroxy-4-[[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfophenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H21N7O15S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 810.998 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 8-hydroxy-7-[[2-hydroxy-4-[[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfophenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=C(C=C(C=C1S(=O)(=O)O)NC2=NC=NC=C2)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/C27H21N7O15S4/c1-49-27-18(8-15(10-22(27)53(46,47)48)30-23-4-5-28-12-29-23)33-31-14-2-3-17(19(35)9-14)32-34-25-21(52(43,44)45)7-13-6-16(50(37,38)39)11-20(51(40,41)42)24(13)26(25)36/h2-12,35-36H,1H3,(H,28,29,30)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48) | ||||||||
| InChI Key | AEFJMMDYZVFCSJ-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 | ||||||||
