IOTHALAMATE SODIUM I 125

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Synonyms
Status
Molecule Category Salt-form
UNII 31J5U3Q9ZN

Structure

InChI Key WCIMWHNSWLLELS-ZMWPDAOESA-M
Smiles CNC(=O)c1c(I)c(NC(C)=O)c([125I])c(C(=O)[O-])c1[125I].[Na+]
InChI
InChI=1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1/i12-2,14-2;

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H8I3N2NaO4
Molecular Weight 631.9
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
ChEMBL CHEMBL2106318
FDA SRS 31J5U3Q9ZN
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