D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate (1:1)

CAS Registry Number®

7241-11-4

CAS Name

D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate (1:1)

Molecular Formula

C12H11I3N2O4.C7H17NO5

Cite this Page

D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-5-(acetylmethylamino)-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=7241-11-4 (retrieved 2024-11-22) (CAS RN: 7241-11-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H11I3N2O4.C7H17NO5/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-3H3,(H,16,18)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

InChIKey

InChIKey=TXKOGNLDVKUFSI-WZTVWXICSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate (1:1)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate (salt)
  • Benzoic acid, 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
  • Benzoic acid, 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)-, compd. with 1-deoxy-1-(methylamino)glucitol
  • Glucitol, 1-deoxy-1-(methylamino)-, 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoate (salt)

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Deleted or Replaced CAS Registry Numbers

13764-58-4, 18555-27-6, 887770-60-7

CAS INSIGHTSTM
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