D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3′-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate] (2:1)

CAS Registry Number®

54605-45-7
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CAS Name

D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3′-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate] (2:1)

Molecular Formula

C24H20I6N4O8.2C7H17NO5

Cite this Page

D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3′-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate] (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54605-45-7 (retrieved 2024-06-28) (CAS RN: 54605-45-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H20I6N4O8.C7H17NO5/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)42;1-8-2-4(10)6(12)7(13)5(11)3-9/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

InChIKey

InChIKey=XGOFCBBGWCBCQF-WZTVWXICSA-N

SMILES

N(C(CCCCC(NC1=C(I)C(C(NC)=O)=C(I)C(C(O)=O)=C1I)=O)=O)C2=C(I)C(C(NC)=O)=C(I)C(C(O)=O)=C2I.[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)CCCCC(=O)NC=2C(I)=C(C(=O)O)C(I)=C(C(=O)NC)C2I)=C(I)C(C(=O)NC)=C1I.OCC(O)C(O)C(O)C(O)CNC

Other Names for this Substance

  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3′-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate] (2:1)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3′-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate] (2:1) (salt)
  • Benzoic acid, 3,3′-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:2)
  • Dimer X
  • Meglumine iocarmate

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