IODOHIPPURATE SODIUM I 131

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Synonyms
Status
Molecule Category Salt-form
UNII 9BRV734R3E
EPA CompTox DTXSID90236816

Structure

InChI Key XYITYKDGJLHYPW-UDYUCQKZSA-M
Smiles O=C([O-])CNC(=O)c1ccccc1[131I].[Na+]
InChI
InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10+4;

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H7INNaO3
Molecular Weight 331.06
AlogP 1.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 66.4
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
ChEBI 134740
ChEMBL CHEMBL1200763
DrugBank DB09382
FDA SRS 9BRV734R3E
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