N,N',N''-[(2,4,6-Trioxo-1,3,5-Triazine-1,3,5(2H,4H,6H)-Triyl)Tris(Methyl-M-Phenylene)]Tris(Hexahydro-2-Oxo-1H-Azepine-1-Carboxamide)
[CAS# 68310-49-6]

Identification

• Name: N,N',N''-[(2,4,6-Trioxo-1,3,5-Triazine-1,3,5(2H,4H,6H)-Triyl)Tris(Methyl-M-Phenylene)]Tris(Hexahydro-2-Oxo-1H-Azepine-1-Carboxamide)
• Synonyms: N-[3-[3,5-Bis[2-Methyl-3-[(2-Oxoazepane-1-Carbonyl)Amino]Phenyl]-2,4,6-Trioxo-1,3,5-Triazinan-1-Yl]-2-Methyl-Phenyl]-2-Oxo-Azepane-1-Carboxamide; N-[3-[3,5-Bis[2-Methyl-3-[[Oxo-(2-Oxo-1-Azepanyl)Methyl]Amino]Phenyl]-2,4,6-Trioxo-1,3,5-Triazinan-1-Yl]-2-Methylphenyl]-2-Oxo-1-Azepanecarboxamide; 2-Keto-N-[2-Methyl-3-[2,4,6-Triketo-3,5-Bis[3-[(2-Ketoazepane-1-Carbonyl)Amino]-2-Methyl-Phenyl]-1,3,5-Triazinan-1-Yl]Phenyl]Azepane-1-Carboxamide
• Molecular Formula: C₄₅H₅₁N₉O₉
• Molecular Weight: 861.95
• CAS Registry Number: 68310-49-6
• EINECS: 269-716-0
• SMILES: C2=CC=C(NC(=O)N1C(=O)CCCCC1)C(=C2N3C(=O)N(C(=O)N(C3=O)C4=C(C(=CC=C4)NC(=O)N5C(=O)CCCCC5)C)C6=C(C(=CC=C6)NC(=O)N7C(=O)CCCCC7)C)C
• InChI: 1S/C45H51N9O9/c1-28-31(46-40(58)49-25-10-4-7-22-37(49)55)16-13-19-34(28)52-43(61)53(35-20-14-17-32(29(35)2)47-41(59)50-26-11-5-8-23-38(50)56)45(63)54(44(52)62)36-21-15-18-33(30(36)3)48-42(60)51-27-12-6-9-24-39(51)57/h13-21H,4-12,22-27H2,1-3H3,(H,46,58)(H,47,59)(H,48,60)
• InChIKey: SQUJXPIMSYXOJD-UHFFFAOYSA-N

Properties

• Density: 1.406g/cm³ (Cal.)