Structure

InChI Key XQZXYNRDCRIARQ-LURJTMIESA-N
Smiles C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I
InChI
InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22I3N3O8
Molecular Weight 777.09
AlogP -1.01
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 10.0
Polar Surface Area 188.45
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Diagnostic agent None DailyMed

Related Entries

Cross References

Resources Reference
ChEBI 31711
ChEMBL CHEMBL1200932
DrugBank DB08947
DrugCentral 1464
FDA SRS JR13W81H44
PubChem 65492
SureChEMBL SCHEMBL27781
ZINC ZINC000003830947