4-amino-3-[[5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-6-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid (CHEM343579)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 11:29:19 UTC | ||||||||
| Update Date | 2026-08-31 11:29:19 UTC | ||||||||
| Accession Number | CHEM343579 | ||||||||
| Identification | |||||||||
| Common Name | 4-amino-3-[[5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-6-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-amino-3-[[5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-6-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid is a chemical compound with the formula C28H23ClN8O18S6. With an average molecular weight of 987.40 g/mol, 4-amino-3-[[5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-6-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H23ClN8O18S6 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 985.914 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-amino-3-[[5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-6-[(2,5-disulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC(=C(C=C2)S(=O)(=O)O)N=NC3=C(C=C4C=C(C(=C(C4=C3N)O)N=NC5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Cl | ||||||||
| InChI Identifier | InChI=1S/C28H23ClN8O18S6/c1-11-22(29)27(33-28(31-11)56(2,39)40)32-13-3-5-17(58(44,45)46)15(9-13)34-36-24-19(60(50,51)52)7-12-8-20(61(53,54)55)25(26(38)21(12)23(24)30)37-35-16-10-14(57(41,42)43)4-6-18(16)59(47,48)49/h3-10,38H,30H2,1-2H3,(H,31,32,33)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55) | ||||||||
| InChI Key | LBSQCJIAEMKDLP-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 | ||||||||
