7-[[6-[[4-chloro-6-(n-methylanilino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,3,6-trisulfonic acid (CHEM346101)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:08:08 UTC | ||||||||
| Update Date | 2026-08-31 15:08:08 UTC | ||||||||
| Accession Number | CHEM346101 | ||||||||
| Identification | |||||||||
| Common Name | 7-[[6-[[4-chloro-6-(n-methylanilino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]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 | C30H22ClN7O13S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 850.985 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 7-[[6-[[4-chloro-6-(n-methylanilino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,3,6-trisulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=CC6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Cl | ||||||||
| InChI Identifier | InChI=1S/C30H22ClN7O13S4/c1-38(18-5-3-2-4-6-18)30-34-28(31)33-29(35-30)32-17-7-8-20-15(9-17)12-25(55(49,50)51)26(27(20)39)37-36-22-14-21-16(11-24(22)54(46,47)48)10-19(52(40,41)42)13-23(21)53(43,44)45/h2-14,39H,1H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,32,33,34,35) | ||||||||
| InChI Key | KKLAHGDNWKSDHK-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 | ||||||||
