IOMEPROL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
ATC: V08AB10
UNII: 17E17JBP8L

Structure
InChI Key NJKDOADNQSYQEV-UHFFFAOYSA-N
Smile CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
InChI
InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22I3N3O8
Molecular Weight 777.09
AlogP -1.38
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 10.0
Polar Surface Area 179.66
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 31.0

Cross References

Resources Reference
ChEBI 31710
ChEMBL CHEMBL2107214
DrugBank DB11705
DrugCentral 1463
EPA CompTox DTXSID1049061
FDA SRS 17E17JBP8L
SureChEMBL SCHEMBL26981
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