D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate (1:1)
CAS Registry Number®
13087-53-1
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CAS Name
D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate (1:1)Molecular Formula
C11H9I3N2O4.C7H17NO5Cite this Page
D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=13087-53-1 (retrieved ) (CAS RN: 13087-53-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,18)(H,16,17)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
InChIKey
InChIKey=VLHUSFYMPUDOEL-WZTVWXICSA-N
SMILES
[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC)O)O.C(NC)(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
Canonical SMILES
O=C(O)C1=C(I)C(NC(=O)C)=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-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate (1:1)
- Isophthalamic acid, 5-acetamido-2,4,6-triiodo-N-methyl-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
- D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate (salt)
- Isophthalamic acid, 5-acetamido-2,4,6-triiodo-N-methyl-, compd. with 1-deoxy-1-(methylamino)glucitol
- Glucitol, 1-deoxy-1-(methylamino)-, D-, 5-acetamido-2,4,6-triiodo-N-methylisophthalamate (salt)
Deleted or Replaced CAS Registry Numbers
519-25-5, 16240-57-6
