5-[[3-[[3,5-Bis(1,3-Dihydroxypropan-2-Ylcarbamoyl)-2,4,6-Triiodophenyl]-Methylamino]-3-Oxopropanoyl]-Methylamino]-N,N'-Bis(1,3-Dihydroxypropan-2-Yl)-2,4,6-Triiodobenzene-1,3-Dicarboxamide
[CAS# 75871-98-6]

Identification

• Name: 5-[[3-[[3,5-Bis(1,3-Dihydroxypropan-2-Ylcarbamoyl)-2,4,6-Triiodophenyl]-Methylamino]-3-Oxopropanoyl]-Methylamino]-N,N'-Bis(1,3-Dihydroxypropan-2-Yl)-2,4,6-Triiodobenzene-1,3-Dicarboxamide
• Synonyms: 5-[[3-[[3,5-Bis[[2-Hydroxy-1-(Hydroxymethyl)Ethyl]Carbamoyl]-2,4,6-Triiodo-Phenyl]-Methyl-Amino]-3-Oxo-Propanoyl]-Methyl-Amino]-N,N'-Bis[2-Hydroxy-1-(Hydroxymethyl)Ethyl]-2,4,6-Triiodo-Benzene-1,3-Dicarboxamide; 5-[[3-[[3,5-Bis[[[2-Hydroxy-1-(Hydroxymethyl)Ethyl]Amino]-Oxomethyl]-2,4,6-Triiodophenyl]-Methylamino]-1,3-Dioxopropyl]-Methylamino]-N,N'-Bis[2-Hydroxy-1-(Hydroxymethyl)Ethyl]-2,4,6-Triiodobenzene-1,3-Dicarboxamide; 5-[[3-[[3,5-Bis[(2-Hydroxy-1-Methylol-Ethyl)Carbamoyl]-2,4,6-Triiodo-Phenyl]-Methyl-Amino]-3-Keto-Propanoyl]-Methyl-Amino]-N,N'-Bis(2-Hydroxy-1-Methylol-Ethyl)-2,4,6-Triiodo-Isophthalamide
• Molecular Formula: C₃₃H₄₀I₆N₆O₁₄
• Molecular Weight: 1506.14
• CAS Registry Number: 75871-98-6
• SMILES: C(C(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)C(=O)N(C)C2=C(C(=C(C(=C2I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I
• InChI: 1S/C33H40I6N6O14/c1-44(28-24(36)18(30(56)40-12(4-46)5-47)22(34)19(25(28)37)31(57)41-13(6-48)7-49)16(54)3-17(55)45(2)29-26(38)20(32(58)42-14(8-50)9-51)23(35)21(27(29)39)33(59)43-15(10-52)11-53/h12-15,46-53H,3-11H2,1-2H3,(H,40,56)(H,41,57)(H,42,58)(H,43,59)
• InChIKey: PASMMXVVBFHXBN-UHFFFAOYSA-N

Properties

• Density: 2.337g/cm³ (Cal.)
• Boiling point: 1207.915°C at 760 mmHg (Cal.)
• Flash point: 684.322°C (Cal.)