Meglumine ioxaglate

CAS Registry Number®

59018-13-2

CAS Name

Meglumine ioxaglate

Molecular Formula

C24H21I6N5O8.C7H17NO5

Cite this Page

Meglumine ioxaglate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59018-13-2 (retrieved 2024-11-22) (CAS RN: 59018-13-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H21I6N5O8.C7H17NO5/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;1-8-2-4(10)6(12)7(13)5(11)3-9/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

InChIKey

InChIKey=HUHDYASLFWQVOL-WZTVWXICSA-N

SMILES

C(NCC(NC1=C(I)C(C(NCCO)=O)=C(I)C(C(O)=O)=C1I)=O)(=O)C2=C(I)C(N(C(C)=O)C)=C(I)C(C(NC)=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)CNC(=O)C2=C(I)C(C(=O)NC)=C(I)C(=C2I)N(C(=O)C)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-[[2-[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate (1:1)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3-[[[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate (salt)
  • Benzoic acid, 3-[[[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
  • Meglumine ioxaglate
  • Ioxaglate meglumine

Deleted or Replaced CAS Registry Numbers

124657-36-9, 59018-16-5