IOTHALAMATE SODIUM I 125

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key WCIMWHNSWLLELS-ZMWPDAOESA-M
Smile 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

Action Mechanism of Action Reference
None Diagnostic agent DailyMed

Cross References

Resources Reference
ChEMBL CHEMBL2106318
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