Iotasul
[CAS# 71767-13-0]

Identification

• Name: Iotasul
• Synonyms: 5-[3-[3-[[3,5-Bis(2,3-Dihydroxypropyl-Methyl-Carbamoyl)-2,4,6-Triiodo-Phenyl]Amino]-3-Oxo-Propyl]Sulfanylpropanoylamino]-N,N'-Bis(2,3-Dihydroxypropyl)-2,4,6-Triiodo-N,N'-Dimethyl-Benzene-1,3-Dicarboxamide; 5-[[3-[[3-[[3,5-Bis[(2,3-Dihydroxypropyl-Methylamino)-Oxomethyl]-2,4,6-Triiodophenyl]Amino]-3-Oxopropyl]Thio]-1-Oxopropyl]Amino]-N,N'-Bis(2,3-Dihydroxypropyl)-2,4,6-Triiodo-N,N'-Dimethylbenzene-1,3-Dicarboxamide; 5-[3-[[3-[[3,5-Bis(Glyceryl-Methyl-Carbamoyl)-2,4,6-Triiodo-Phenyl]Amino]-3-Keto-Propyl]Thio]Propanoylamino]-N,N'-Diglyceryl-2,4,6-Triiodo-N,N'-Dimethyl-Isophthalamide
• Molecular Formula: C₃₈H₅₀I₆N₆O₁₄S
• Molecular Weight: 1608.33
• CAS Registry Number: 71767-13-0
• EINECS: 275-996-5
• SMILES: C(N(C(C1=C(C(=C(C(=C1I)C(N(CC(CO)O)C)=O)I)NC(CCSCCC(NC2=C(C(=C(I)C(=C2I)C(N(CC(CO)O)C)=O)C(N(CC(CO)O)C)=O)I)=O)=O)I)=O)C)C(CO)O
• InChI: 1S/C38H50I6N6O14S/c1-47(9-17(55)13-51)35(61)23-27(39)24(36(62)48(2)10-18(56)14-52)30(42)33(29(23)41)45-21(59)5-7-65-8-6-22(60)46-34-31(43)25(37(63)49(3)11-19(57)15-53)28(40)26(32(34)44)38(64)50(4)12-20(58)16-54/h17-20,51-58H,5-16H2,1-4H3,(H,45,59)(H,46,60)
• InChIKey: OQHLOKBHRXMXLD-UHFFFAOYSA-N

Properties

• Density: 2.201g/cm³ (Cal.)
• Boiling point: 1429.385°C at 760 mmHg (Cal.)
• Flash point: 818.263°C (Cal.)