IPODATE SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII F316LLW9WW

Structure

InChI Key ZFHZUGUCWJVEQC-FPUQOWELSA-M
Smiles CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.[Na+]
InChI
InChI=1S/C12H13I3N2O2.Na/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h5-6H,3-4H2,1-2H3,(H,18,19);/q;+1/p-1/b16-6+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12I3N2NaO2
Molecular Weight 619.94
AlogP 3.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 52.9
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 19.0

Cross References

Resources Reference
ChEBI 5953
ChEMBL CHEMBL1201033
FDA SRS F316LLW9WW
PubChem 23671932
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