2-[[4-[2-cyanoethyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-[4-[(e)-2-[4-[[4-[2-cyanoethyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid (CHEM353000)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 04:06:09 UTC | ||||||||
| Update Date | 2026-09-01 04:06:09 UTC | ||||||||
| Accession Number | CHEM353000 | ||||||||
| Identification | |||||||||
| Common Name | 2-[[4-[2-cyanoethyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-[4-[(e)-2-[4-[[4-[2-cyanoethyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM353000: 2-[[4-[2-cyanoethyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-[4-[(e)-2-[4-[[4-[2-cyanoethyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C46H50N14O22S6 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1342.155 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCC#N)CCOCCO)NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCC#N)CCOCCO)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C46H50N14O22S6/c47-13-1-15-59(17-21-81-23-19-61)45-55-41(53-43(57-45)51-35-27-33(83(63,64)65)9-11-37(35)85(69,70)71)49-31-7-5-29(39(25-31)87(75,76)77)3-4-30-6-8-32(26-40(30)88(78,79)80)50-42-54-44(58-46(56-42)60(16-2-14-48)18-22-82-24-20-62)52-36-28-34(84(66,67)68)10-12-38(36)86(72,73)74/h3-12,25-28,61-62H,1-2,15-24H2,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,49,51,53,55,57)(H2,50,52,54,56,58)/b4-3+ | ||||||||
| InChI Key | DUGTZBQIOAHTJU-ONEGZZNKSA-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 | ||||||||
