Structure

InChI Key ZEYOIOAKZLALAP-UHFFFAOYSA-M
Smile CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[Na+]
InChI
InChI=1S/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H8I3N2NaO4
Molecular Weight 635.9
AlogP 3.12
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 95.5
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
None Diagnostic agent DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ileus 2 D045823 ClinicalTrials

Related Entries

UNKNOWN
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
38.46
Injury, poisoning and procedural complications
10.26
General disorders and administration site conditions
8.97
Immune system disorders
7.69
Metabolism and nutrition disorders
5.13
Musculoskeletal and connective tissue disorders
5.13
Psychiatric disorders
5.13
Skin and subcutaneous tissue disorders
5.13
Vascular disorders
5.13

Cross References

Resources Reference
ChEBI 53692
ChEMBL CHEMBL1200581
EPA CompTox DTXSID7022912
FDA SRS V5403H8VG7
PubChem 23672589
SureChEMBL SCHEMBL37116