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Analyte Name
Meglumine Metrizoate
CAS Number
7241-11-4
Molecular Formula
C12 H11 I3 N2 O4 . C7 H17 N O5
Molecular Weight
823.154
Accurate Mass
822.896
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
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
IUPAC
3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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