DIATRIZOATE MEGLUMINE

Search structure
Trade Names:
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
UNII: 3X9MR4N98U

Structure
InChI Key MIKKOBKEXMRYFQ-WZTVWXICSA-N
Smile CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI
InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26I3N3O9
Molecular Weight 809.13
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

MCS

Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
31.52
Gastrointestinal disorders
15.22
Injury, poisoning and procedural complications
11.96
Nervous system disorders
9.78
Vascular disorders
7.61
Cardiac disorders
6.52
Ear and labyrinth disorders
4.35
Psychiatric disorders
4.35
Respiratory, thoracic and mediastinal disorders
4.35
Skin and subcutaneous tissue disorders
2.17

Cross References

Resources Reference
ChEBI 31812
ChEMBL CHEMBL1200839
EPA CompTox DTXSID20897171
FDA SRS 3X9MR4N98U
PubChem 8566
SureChEMBL SCHEMBL107036
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