CTK4I8414
disodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI)
CAS: 4470-72-8
| Molecular Formula | C30H36N10Na2O12S2 |
|---|---|
| Molecular Weight | 838.1751 g/mol |
| LogP | -6.8704 |
| Topological Polar Surface Area | 338.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 18 |
| Exact Mass | 838.1751 |
| Monoisotopic Mass | 838.1751 |
| Heavy Atoms | 56 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 4470-72-8 |
|---|---|
| SMILES | COC1=NC(=NC(=N1)N(CCO)CCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)OC)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | HYNVEGJIWYGFFL-UHFFFAOYSA-L |
Product Overview
CTK4I8414 (CAS 4470-72-8), with molecular formula C30H36N10Na2O12S2 and molecular weight 838.1751 g/mol. IUPAC: disodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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