Meglumine diatrizoate
CAS Registry Number®
131-49-7
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CAS Name
Meglumine diatrizoateMolecular Formula
C11H9I3N2O4.C7H17NO5Cite this Page
Meglumine diatrizoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=131-49-7 (retrieved ) (CAS RN: 131-49-7). 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)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
InChIKey
InChIKey=MIKKOBKEXMRYFQ-WZTVWXICSA-N
SMILES
[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC)O)O.N(C(C)=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
Canonical SMILES
O=C(O)C=1C(I)=C(NC(=O)C)C(I)=C(NC(=O)C)C1I.OCC(O)C(O)C(O)C(O)CNC
Other Names for this Substance
- D-Glucitol, 1-deoxy-1-(methylamino)-, 3,5-bis(acetylamino)-2,4,6-triiodobenzoate (1:1)
- Glucitol, 1-deoxy-1-(methylamino)-, 3,5-diacetamido-2,4,6-triiodobenzoate (salt), D-
- D-Glucitol, 1-deoxy-1-(methylamino)-, 3,5-bis(acetylamino)-2,4,6-triiodobenzoate (salt)
- Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, compd. with 1-deoxy-1-(methylamino)glucitol
- Sorbitol, 1-deoxy-1-methylamino-, compd. with 3,5-diacetamido-2,4,6-triiodobenzoic acid
Deleted or Replaced CAS Registry Numbers
146-69-0, 7170-91-4, 19766-67-7, 63626-48-2, 69426-25-1
