2-[[4-[4-[(e)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid (CHEM349943)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 21:20:26 UTC | ||||||||
| Update Date | 2026-08-31 21:20:26 UTC | ||||||||
| Accession Number | CHEM349943 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[4-[4-[(e)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[[4-[4-[(e)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid has the chemical formula C36H36N12O18S6. With an average molecular weight of 1,117 g/mol, 2-[[4-[4-[(e)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C36H36N12O18S6 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1116.059 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[[4-[4-[(e)-2-[4-[[4-(2,5-disulfoanilino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCNC1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NCC)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C36H36N12O18S6/c1-3-37-31-43-33(47-35(45-31)41-25-17-23(67(49,50)51)11-13-27(25)69(55,56)57)39-21-9-7-19(29(15-21)71(61,62)63)5-6-20-8-10-22(16-30(20)72(64,65)66)40-34-44-32(38-4-2)46-36(48-34)42-26-18-24(68(52,53)54)12-14-28(26)70(58,59)60/h5-18H,3-4H2,1-2H3,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48)/b6-5+ | ||||||||
| InChI Key | FBSPEVLDJSEJLR-AATRIKPKSA-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 | ||||||||
