tetrasodium 1-phenyl-3-[[4-[(3-phenyl-1,3-disulfonato-propyl)amino]-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]propane-1,3-disulfonate
[CAS# 97259-87-5]

Identification

• Name: tetrasodium 1-phenyl-3-[[4-[(3-phenyl-1,3-disulfonato-propyl)amino]-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]propane-1,3-disulfonate
• Synonyms: tetrasodium 1,1'-[[5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diyl]diimino]bis[3-phenylpropane-1,3-disulphonate]
• Molecular Formula: C₃₂H₃₄N₄Na₄O₁₅S₄
• Molecular Weight: 934.85
• CAS Registry Number: 97259-87-5
• EINECS: 306-451-2
• SMILES: [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)C(CC(Nc3nc(NC(CC(c1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O)ncc3Cc2cc(OC)c(OC)c(OC)c2)S([O-])(=O)=O)c4ccccc4
• InChI: 1S/C32H38N4O15S4.4Na/c1-49-24-15-20(16-25(50-2)30(24)51-3)14-23-19-33-32(35-29(55(46,47)48)18-27(53(40,41)42)22-12-8-5-9-13-22)36-31(23)34-28(54(43,44)45)17-26(52(37,38)39)21-10-6-4-7-11-21;;;;/h4-13,15-16,19,26-29H,14,17-18H2,1-3H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36);;;;/q;4*+1/p-4
• InChIKey: IQJQDQLPOSULRT-UHFFFAOYSA-J