3-[[2,5-dihydroxy-6-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-1,7-disulfonic acid (CHEM346045)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:03:26 UTC | ||||||||
| Update Date | 2026-08-31 15:03:26 UTC | ||||||||
| Accession Number | CHEM346045 | ||||||||
| Identification | |||||||||
| Common Name | 3-[[2,5-dihydroxy-6-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-1,7-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[[2,5-dihydroxy-6-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-1,7-disulfonic acid has the chemical formula C30H18Cl3N7O16S4. With an average molecular weight of 967.10 g/mol, 3-[[2,5-dihydroxy-6-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-1,7-disulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H18Cl3N7O16S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 964.876 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-[[2,5-dihydroxy-6-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]-8-sulfonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-1,7-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC2=C(C(=CC(=C2C=C1S(=O)(=O)O)S(=O)(=O)O)N=NC3=C(C=CC4=C(C(=CC(=C43)S(=O)(=O)O)N=NC5=CC(=CC(=C5O)NC6=C(C(=NC(=N6)Cl)Cl)Cl)S(=O)(=O)O)O)O)O | ||||||||
| InChI Identifier | InChI=1S/C30H18Cl3N7O16S4/c31-23-28(32)35-30(33)36-29(23)34-15-6-11(58(48,49)50)7-16(27(15)44)37-38-18-9-21(60(54,55)56)22-13(26(18)43)3-4-19(41)24(22)40-39-17-8-20(59(51,52)53)14-5-10(57(45,46)47)1-2-12(14)25(17)42/h1-9,41-44H,(H,34,35,36)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56) | ||||||||
| InChI Key | MUZVHZMVTAGCRU-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 | ||||||||
