7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-3-[(2,8-dihydroxy-4,6-disulfonaphthalen-1-yl)diazenyl]-4-hydroxynaphthalene-1,5-disulfonic acid (CHEM333646)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 20:42:37 UTC | ||||||||
| Update Date | 2026-08-30 20:42:37 UTC | ||||||||
| Accession Number | CHEM333646 | ||||||||
| Identification | |||||||||
| Common Name | 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-3-[(2,8-dihydroxy-4,6-disulfonaphthalen-1-yl)diazenyl]-4-hydroxynaphthalene-1,5-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-3-[(2,8-dihydroxy-4,6-disulfonaphthalen-1-yl)diazenyl]-4-hydroxynaphthalene-1,5-disulfonic acid has the chemical formula C24H14ClF2N5O15S4. With an average molecular weight of 814.10 g/mol, 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-3-[(2,8-dihydroxy-4,6-disulfonaphthalen-1-yl)diazenyl]-4-hydroxynaphthalene-1,5-disulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C24H14ClF2N5O15S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 812.903 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-3-[(2,8-dihydroxy-4,6-disulfonaphthalen-1-yl)diazenyl]-4-hydroxynaphthalene-1,5-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=C(C=C(C2=C(C(=CC(=C21)S(=O)(=O)O)N=NC3=C4C(=CC(=CC4=C(C=C3O)S(=O)(=O)O)S(=O)(=O)O)O)O)S(=O)(=O)O)NC5=C(C(=NC(=N5)F)F)Cl | ||||||||
| InChI Identifier | InChI=1S/C24H14ClF2N5O15S4/c25-19-22(26)29-24(27)30-23(19)28-7-1-9-14(49(39,40)41)5-11(21(35)18(9)16(2-7)51(45,46)47)31-32-20-13(34)6-15(50(42,43)44)10-3-8(48(36,37)38)4-12(33)17(10)20/h1-6,33-35H,(H,28,29,30)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47) | ||||||||
| InChI Key | MVGPHQXYNLKKLV-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 | |||||||||
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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
