METRIZOATE MAGNESIUM

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: V717MS5D5B

Structure
InChI Key QGZYHVVYXBFUSE-UHFFFAOYSA-L
Smile CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.[Mg+2]
InChI
InChI=1S/2C12H11I3N2O4.Mg/c2*1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;/h2*1-3H3,(H,16,18)(H,20,21);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H20I6MgN4O8
Molecular Weight 1278.17
AlogP 3.14
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 86.71
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL2364738
FDA SRS V717MS5D5B
PubChem 10080104
CONTENTS