5-[[4-chloro-6-(4-methyl-2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-[(4,5-dimethyl-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid (CHEM343643)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 11:33:34 UTC | ||||||||
| Update Date | 2026-08-31 11:33:34 UTC | ||||||||
| Accession Number | CHEM343643 | ||||||||
| Identification | |||||||||
| Common Name | 5-[[4-chloro-6-(4-methyl-2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-[(4,5-dimethyl-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 5-[[4-chloro-6-(4-methyl-2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-[(4,5-dimethyl-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid has the chemical formula C28H24ClN7O13S4. With an average molecular weight of 830.20 g/mol, 5-[[4-chloro-6-(4-methyl-2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-[(4,5-dimethyl-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H24ClN7O13S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 829.000 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 5-[[4-chloro-6-(4-methyl-2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-[(4,5-dimethyl-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=C(C=C(C(=C5)C)C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C28H24ClN7O13S4/c1-12-4-5-17(20(6-12)51(41,42)43)30-27-32-26(29)33-28(34-27)31-19-11-16(50(38,39)40)9-15-10-22(53(47,48)49)24(25(37)23(15)19)36-35-18-7-13(2)14(3)8-21(18)52(44,45)46/h4-11,37H,1-3H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,30,31,32,33,34) | ||||||||
| InChI Key | LWZDHUFESVTWHS-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 |
| ||||||||
| 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 | ||||||||
