7-[[4-amino-2-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-sulfophenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid (CHEM321406)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 03:18:40 UTC | ||||||||
| Update Date | 2026-08-30 03:18:40 UTC | ||||||||
| Accession Number | CHEM321406 | ||||||||
| Identification | |||||||||
| Common Name | 7-[[4-amino-2-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-sulfophenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 7-[[4-amino-2-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-sulfophenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid is a chemical compound with the formula C21H16ClFN6O12S4. With an average molecular weight of 727.10 g/mol, 7-[[4-amino-2-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-sulfophenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H16ClFN6O12S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 725.938 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 7-[[4-amino-2-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-sulfophenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C(=NC(=N1)F)NC2=C(C=C(C(=C2)N)S(=O)(=O)O)N=NC3=CC4=C(C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)C(=C3)S(=O)(=O)O)Cl | ||||||||
| InChI Identifier | InChI=1S/C21H16ClFN6O12S4/c1-8-19(22)20(27-21(23)25-8)26-14-6-13(24)18(45(39,40)41)7-15(14)29-28-9-2-11-12(16(3-9)43(33,34)35)4-10(42(30,31)32)5-17(11)44(36,37)38/h2-7H,24H2,1H3,(H,25,26,27)(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41) | ||||||||
| InChI Key | FFBJLVGMAYBWBG-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 | ||||||||
