IODOHIPPURATE SODIUM I 123

Search structure
Synonyms:
Status: Approved (1984)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4NW20GFQ7H

Structure
InChI Key XYITYKDGJLHYPW-TWDNZPFZSA-M
Smile O=C([O-])CNC(=O)c1ccccc1[123I].[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 323.05
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
ChEMBL CHEMBL1200439
DrugBank DB09448
EPA CompTox DTXSID60204805
FDA SRS 4NW20GFQ7H
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