5-[[4-[[8-[[4-anilino-6-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-hydroxy-3-sulfobenzoic acid (CHEM353317)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 04:30:42 UTC | ||||||||
| Update Date | 2026-09-01 04:30:42 UTC | ||||||||
| Accession Number | CHEM353317 | ||||||||
| Identification | |||||||||
| Common Name | 5-[[4-[[8-[[4-anilino-6-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-hydroxy-3-sulfobenzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C47H36N12O17S3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1136.148 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC(=C(C=C1N=NC2=CC(=C(C(=C2)S(=O)(=O)O)O)C(=O)O)OC)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)N=NC7=CC(=C(C=C7)O)C(=O)O)NC8=CC=CC=C8)O | ||||||||
| InChI Identifier | InChI=1S/C47H36N12O17S3/c1-22-14-33(36(76-2)21-32(22)57-56-28-18-31(44(65)66)41(61)38(19-28)79(73,74)75)58-59-40-37(78(70,71)72)16-23-15-29(77(67,68)69)20-34(39(23)42(40)62)50-47-52-45(48-24-6-4-3-5-7-24)51-46(53-47)49-25-8-10-26(11-9-25)54-55-27-12-13-35(60)30(17-27)43(63)64/h3-21,60-62H,1-2H3,(H,63,64)(H,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H3,48,49,50,51,52,53) | ||||||||
| InChI Key | PPWXMFUAEQYUNU-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 | |||||||||
| 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 | ||||||||
