D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3′-[oxybis[(1-oxo-2,1-ethanediyl)imino]]bis[2,4,6-triiodobenzoate] (2:1)

CAS Registry Number®

14317-18-1

CAS Name

D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3′-[oxybis[(1-oxo-2,1-ethanediyl)imino]]bis[2,4,6-triiodobenzoate] (2:1)

Molecular Formula

C18H10I6N2O7.2C7H17NO5

Cite this Page

D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3′-[oxybis[(1-oxo-2,1-ethanediyl)imino]]bis[2,4,6-triiodobenzoate] (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14317-18-1 (retrieved 2024-10-06) (CAS RN: 14317-18-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H10I6N2O7.C7H17NO5/c19-5-1-7(21)15(13(23)11(5)17(29)30)25-9(27)3-33-4-10(28)26-16-8(22)2-6(20)12(14(16)24)18(31)32;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H,3-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

InChIKey

InChIKey=FRMWIRNTYJSUHV-WZTVWXICSA-N

SMILES

[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC)O)O.N(C(COCC(NC1=C(I)C(C(O)=O)=C(I)C=C1I)=O)=O)C2=C(I)C(C(O)=O)=C(I)C=C2I

Canonical SMILES

O=C(O)C=1C(I)=CC(I)=C(NC(=O)COCC(=O)NC2=C(I)C=C(I)C(C(=O)O)=C2I)C1I.OCC(O)C(O)C(O)C(O)CNC

Other Names for this Substance

  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3′-[oxybis[(1-oxo-2,1-ethanediyl)imino]]bis[2,4,6-triiodobenzoate] (2:1)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3′-[oxybis[(1-oxo-2,1-ethanediyl)imino]]bis[2,4,6-triiodobenzoate] (2:1) (salt)
  • Glucitol, 1-deoxy-1-(methylamino)-, 3,3′-[oxybis(methylenecarbonylimino)]bis[2,4,6-triiodobenzoate] (2:1) (salt), D-
  • Benzoic acid, 3,3′-(diglycoloyldiimino)bis[2,4,6-triiodo-, compd. with 1-deoxy-1-(methylamino)glucitol (1:2)
  • Benzoic acid, 3,3′-[oxybis(methylenecarbonylimino)]bis[2,4,6-triiodo-, compd. with 1-deoxy-1-(methylamino)glucitol (1:2)

View All

Deleted or Replaced CAS Registry Numbers

61919-51-5

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox