N,N'-Bis(2,3-dihydroxypropyl)-5-[glycoloyl(methyl)amino]-2,4,6-triiodoisophthalamide | CAS No. 78649-41-9

N,N'-Bis(2,3-dihydroxypropyl)-5-[glycoloyl(methyl)amino]-2,4,6-triiodoisophthalamide

Basic Information

CAS Number

78649-41-9

Molecular Formula

C17H22I3N3O8

Molecular Weight

777.09 g/mol

AD

Basic Physical Properties

Melting Point

263-265?C

Boiling Point

813.2°C at 760 mmHg

Density

2.270±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

445.6°C

Refractive Index

nD20 1.3828; nD20 1.4327; nD20 1.4660

CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO

InChI

InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)

InChIKey

NJKDOADNQSYQEV-UHFFFAOYSA-N

LogP

-1.3784999999999996

Topological Polar Surface Area

179.66 Ų

Hydrogen Bond Donor/Acceptor

7 / 11

Complexity

591

Safety Information

View Safety Information

Toxicity

LD50 (400 mgI/ml soln) i.v. in mice, rats (gI/kg): 19.9, 14.5; LD50 (370 mgI/ml soln) i.v. in dogs (gI/kg): >12.5 (Morisetti)

Synonyms & References

English

  • IOMEPROL [MART.]
  • D01719
  • 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide
  • DTXCID2028987
  • N,N'-bis(2,3-dihydroxypropyl)-5-(glycoloyl(methyl)amino)-2,4,6-triiodoisophthalamide
  • CHEMBL2107214
  • Iomeron 300
  • NS00000228
  • 1185146-41-1
  • Iomeprolum (INN-Latin)
  • A839467
  • BCP34386
  • E-7337
  • Tox21_113611
  • V08AB10
  • 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-((hydroxyacetyl)methylamino)-2,4,6-triiodo-
  • IOMEPROL [INN]
  • IOMEPROL [USAN]
  • DB11705
  • FT-0670399
  • IOMEPROL [WHO-DD]
  • NCGC00183283-01
  • iomeprol
  • N1,N3-Bis(2,3-dihydroxypropyl)-5-(2-hydroxy-N-methylacetamido)-2,4,6-triiodoisophthalamide
  • Iomeprol [USAN:INN:BAN:JAN]
  • FT-0627277
  • N,N'-bis(2,3-dihydroxypropyl)-5-[glycoloyl(methyl)amino]-2,4,6-triiodoisophthalamide
  • 78649-41-9
  • IOMEPROL (MART.)
  • CAS-78649-41-9
  • IOMEPROL [MI]

MDL Number

MFCD00867961

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