IOTHALAMATE MEGLUMINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1962)
Entry Type: Small molecule
Molecule Category: Parent
UNII: XUW72GOP7W

Structure
InChI Key VLHUSFYMPUDOEL-WZTVWXICSA-N
Smile CNC(=O)c1c(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)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,18)(H,16,17)(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 2.52
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

Related Entries

MCS

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.47
Psychiatric disorders
16.47
Respiratory, thoracic and mediastinal disorders
15.29
Nervous system disorders
12.94
Immune system disorders
10.59
Injury, poisoning and procedural complications
10.59
Vascular disorders
8.24
Cardiac disorders
4.71
Gastrointestinal disorders
2.35

Cross References

Resources Reference
ChEBI 31714
ChEMBL CHEMBL1201125
FDA SRS XUW72GOP7W
PubChem 656642
SureChEMBL SCHEMBL180546
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