2-[[[[3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-hydroxy-5-sulfophenyl]diazenyl]-(2-chloro-5-sulfophenyl)methyl]diazenyl]-5-sulfobenzoic acid (CHEM339806)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 05:32:29 UTC | ||||||||
| Update Date | 2026-08-31 05:32:29 UTC | ||||||||
| Accession Number | CHEM339806 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[[[3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-hydroxy-5-sulfophenyl]diazenyl]-(2-chloro-5-sulfophenyl)methyl]diazenyl]-5-sulfobenzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C26H22Cl2N8O13S3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 819.985 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[[[[3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-hydroxy-5-sulfophenyl]diazenyl]-(2-chloro-5-sulfophenyl)methyl]diazenyl]-5-sulfobenzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)OC1=NC(=NC(=N1)NC2=C(C(=CC(=C2)S(=O)(=O)O)N=NC(C3=C(C=CC(=C3)S(=O)(=O)O)Cl)N=NC4=C(C=C(C=C4)S(=O)(=O)O)C(=O)O)O)Cl | ||||||||
| InChI Identifier | InChI=1S/C26H22Cl2N8O13S3/c1-11(2)49-26-31-24(28)30-25(32-26)29-19-9-14(52(46,47)48)10-20(21(19)37)34-36-22(15-7-12(50(40,41)42)3-5-17(15)27)35-33-18-6-4-13(51(43,44)45)8-16(18)23(38)39/h3-11,22,37H,1-2H3,(H,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,29,30,31,32) | ||||||||
| InChI Key | YEFKAZZSDITCMZ-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 | ||||||||
