5-[[4-chloro-6-(n-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[[5-(2,3-dibromopropanoylamino)-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid (CHEM346187)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:16:49 UTC | ||||||||
| Update Date | 2026-08-31 15:16:49 UTC | ||||||||
| Accession Number | CHEM346187 | ||||||||
| Identification | |||||||||
| Common Name | 5-[[4-chloro-6-(n-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[[5-(2,3-dibromopropanoylamino)-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 5-[[4-chloro-6-(n-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[[5-(2,3-dibromopropanoylamino)-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid has the chemical formula C30H25Br2ClN8O11S3. With an average molecular weight of 965.00 g/mol, 5-[[4-chloro-6-(n-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[[5-(2,3-dibromopropanoylamino)-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 | C30H25Br2ClN8O11S3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 961.886 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 5-[[4-chloro-6-(n-ethylanilino)-1,3,5-triazin-2-yl]amino]-3-[[5-(2,3-dibromopropanoylamino)-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=C(C=CC(=C5)NC(=O)C(CBr)Br)S(=O)(=O)O)S(=O)(=O)O)Cl | ||||||||
| InChI Identifier | InChI=1S/C30H25Br2ClN8O11S3/c1-2-41(17-6-4-3-5-7-17)30-37-28(33)36-29(38-30)35-21-13-18(53(44,45)46)10-15-11-23(55(50,51)52)25(26(42)24(15)21)40-39-20-12-16(34-27(43)19(32)14-31)8-9-22(20)54(47,48)49/h3-13,19,42H,2,14H2,1H3,(H,34,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,35,36,37,38) | ||||||||
| InChI Key | ZPZWTNZQSRTXAN-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 | ||||||||
