D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate (1:1)

CAS Registry Number®

29288-99-1

CAS Name

D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate (1:1)

Molecular Formula

C12H11I3N2O5.C7H17NO5

Cite this Page

D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29288-99-1 (retrieved 2024-11-22) (CAS RN: 29288-99-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H11I3N2O5.C7H17NO5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;1-8-2-4(10)6(12)7(13)5(11)3-9/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

InChIKey

InChIKey=IFTFXKNYTWAOGK-WZTVWXICSA-N

SMILES

C(NCCO)(=O)C1=C(I)C(NC(C)=O)=C(I)C(C(O)=O)=C1I.[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC)O)O

Canonical SMILES

O=C(O)C1=C(I)C(NC(=O)C)=C(I)C(C(=O)NCCO)=C1I.OCC(O)C(O)C(O)C(O)CNC

Other Names for this Substance

  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate (1:1)
  • Glucitol, 1-deoxy-1-(methylamino)-, 5-acetamido-N-(2-hydroxyethyl)-2,4,6-triiodoisophthalamate (salt), D-
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate (salt)
  • Isophthalamic acid, 5-acetamido-N-(2-hydroxyethyl)-2,4,6-triiodo-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
  • Benzoic acid, 3-(acetylamino)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)

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CAS INSIGHTSTM
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