ACETRIZOATE SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 5GF4B2I1DD

Structure

InChI Key XFFKZMNPQFASBU-UHFFFAOYSA-M
Smiles CC(=O)Nc1c(I)cc(I)c(C(=O)[O-])c1I.O.[Na+]
InChI
InChI=1S/C9H6I3NO3.Na.H2O/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16;;/h2H,1H3,(H,13,14)(H,15,16);;1H2/q;+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H7I3NNaO4
Molecular Weight 596.86
AlogP 3.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 66.4
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 16.0

Cross References

Resources Reference
ChEMBL CHEMBL1201045
FDA SRS 5GF4B2I1DD
PubChem 23665874
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