Structure

InChI Key DGAIEPBNLOQYER-UHFFFAOYSA-N
Smiles COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I
InChI
InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24I3N3O8
Molecular Weight 791.11
AlogP -0.41
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 11.0
Polar Surface Area 168.66
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0

Bioactivity

Mechanism of Action Action Reference
Diagnostic agent None DailyMed

Related Entries

Environmental Exposure

Countries
Croatia
Hungary
Romania
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 63578
ChEMBL CHEMBL1725
DrugBank DB09156
DrugCentral 1468
FDA SRS 712BAC33MZ
Human Metabolome Database HMDB0041910
PubChem 3736
SureChEMBL SCHEMBL24546