IODAMIDE MEGLUMINE

Search structure
Trade Names:
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6X283535A3

Structure
InChI Key UYIPQECISAQMIU-WZTVWXICSA-N
Smile CC(=O)NCc1c(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/C12H11I3N2O4.C7H17NO5/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28I3N3O9
Molecular Weight 823.16
AlogP 2.79
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 95.5
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 21.0

Related Entries

MCS

Cross References

Resources Reference
ChEMBL CHEMBL1201172
EPA CompTox DTXSID90171915
FDA SRS 6X283535A3
PubChem 29182
SureChEMBL SCHEMBL720586
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