IOTHALAMATE MEGLUMINE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII XUW72GOP7W

Structure

InChI Key VLHUSFYMPUDOEL-WZTVWXICSA-N
Smiles CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26I3N3O9
Molecular Weight 809.13
AlogP 2.52
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 95.5
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Diagnostic agent None DailyMed

Cross References

Resources Reference
ChEBI 31714
ChEMBL CHEMBL1201125
FDA SRS XUW72GOP7W
PubChem 656642
SureChEMBL SCHEMBL180546
CONTENTS