IOTHALAMATE SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Salt
UNII: KDN276D83N

Structure
InChI Key WCIMWHNSWLLELS-UHFFFAOYSA-M
Smile CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[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

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H8I3N2NaO4
Molecular Weight 635.9
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

Related Entries

Mixture

Cross References

Resources Reference
ChEMBL CHEMBL1097620
EPA CompTox DTXSID1057668
FDA SRS KDN276D83N
PubChem 23667529
SureChEMBL SCHEMBL159919
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