Tetrasodium 4,4'-Bis[[4-[(2-Carbamoylethyl)(2-Hydroxyethyl)Amino]-6-(4-Sulphonatoanilino)-1,3,5-Triazin-2-Yl]Amino]Stilbene-2,2'-Disulphonate
[CAS# 29637-52-3]

Identification

• Name: Tetrasodium 4,4'-Bis[[4-[(2-Carbamoylethyl)(2-Hydroxyethyl)Amino]-6-(4-Sulphonatoanilino)-1,3,5-Triazin-2-Yl]Amino]Stilbene-2,2'-Disulphonate
• Synonyms: 5-[[4-[(2-Amino-2-Oxo-Ethyl)-(2-Oxoethyl)Amino]-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-(4-Methylamino-2-Sulfonato-Phenyl)Vinyl]Benzenesulfonate; 4-[[4-[(3-Amino-3-Oxo-Propyl)-Propyl-Amino]-6-Methyl-1,3,5-Triazin-2-Yl]Amino]Benzenesulfonate; Methanol; Sodium; 5-[[4-[(2-Amino-2-Oxoethyl)-(2-Oxoethyl)Amino]-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-(4-Methylamino-2-Sulfonatophenyl)Vinyl]Benzenesulfonate; 4-[[4-[(3-Amino-3-Oxopropyl)-Propylamino]-6-Methyl-1,3,5-Triazin-2-Yl]Amino]Benzenesulfonate
• Molecular Formula: C₄₅H₅₀N₁₄Na₄O₁₆S₄
• Molecular Weight: 1263.17
• CAS Registry Number: 29637-52-3
• EINECS: 249-747-6
• SMILES: [Na].[Na].[Na].[Na].C3=C(NC1=NC(=NC(=N1)N(CC(=O)N)CC=O)NC2=CC=C([S]([O-])(=O)=O)C=C2)C=CC(=C3[S]([O-])(=O)=O)\C=C\C4=CC=C(NC)C=C4[S]([O-])(=O)=O.C6=C(NC5=NC(=NC(=N5)N(CCC(=O)N)CCC)C)C=CC(=C6)[S]([O-])(=O)=O.CO
• InChI: 1S/C28H28N8O11S3.C16H22N6O4S.CH4O.4Na/c1-30-20-6-4-17(23(14-20)49(42,43)44)2-3-18-5-7-21(15-24(18)50(45,46)47)32-27-33-26(31-19-8-10-22(11-9-19)48(39,40)41)34-28(35-27)36(12-13-37)16-25(29)38;1-3-9-22(10-8-14(17)23)16-19-11(2)18-15(21-16)20-12-4-6-13(7-5-12)27(24,25)26;1-2;;;;/h2-11,13-15,30H,12,16H2,1H3,(H2,29,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,31,32,33,34,35);4-7H,3,8-10H2,1-2H3,(H2,17,23)(H,24,25,26)(H,18,19,20,21);2H,1H3;;;;/p-4/b3-2+
• InChIKey: RVVMBPWYXZRQAY-BRCCFAOYSA-J