Trisdine
[CAS# 123354-94-9]

Identification

• Name: Trisdine
• Synonyms: (1E)-2-[6-[[Amino-[[Amino-[(4-Chlorophenyl)Amino]Methylene]Amino]Methylene]Amino]Hexyl]-1-[Amino-[(4-Chlorophenyl)Amino]Methylene]Guanidine; 2-[2-(Bis(Carboxymethyl)Amino)Ethyl-(Carboxymethyl)Amino]Acetic Acid; (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoic Acid; (1E)-2-[6-[[Amino-[[Amino-[(4-Chlorophenyl)Amino]Methylidene]Amino]Methylidene]Amino]Hexyl]-1-[Amino-[(4-Chlorophenyl)Amino]Methylidene]Guanidine; 2-[2-(Bis(Carboxymethyl)Amino)Ethyl-(Carboxymethyl)Amino]Ethanoic Acid; (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoic Acid
• Molecular Formula: C₄₄H₇₀Cl₂N₁₂O₂₂
• Molecular Weight: 1190.01
• CAS Registry Number: 123354-94-9
• SMILES: [C@H](O)([C@H](O)[C@@H](O)C(O)=O)[C@H](O)CO.[C@H](O)([C@H](O)[C@@H](O)C(O)=O)[C@H](O)CO.C2=C(NC(=NC(=NCCCCCCN=C(N)N=C(NC1=CC=C(Cl)C=C1)N)N)N)C=CC(=C2)Cl.C(N(CC(O)=O)CC(O)=O)CN(CC(O)=O)CC(O)=O
• InChI: 1S/C22H30Cl2N10.C10H16N2O8.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*2-5,7-11H,1H2,(H,12,13)/t;;2*2-,3-,4+,5-/m..11/s1
• InChIKey: DTGFBBFYTMOQGC-ZMPKAQECSA-N