METRIZOIC ACID

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: V08AA02
UNII: CM1N99QR1M

Structure
InChI Key GGGDNPWHMNJRFN-UHFFFAOYSA-N
Smile CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I
InChI
InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H11I3N2O4
Molecular Weight 627.94
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

Pharmacology

Action Mechanism of Action Reference
None Diagnostic agent PubMed

Cross References

Resources Reference
ChEBI 34847
ChEMBL CHEMBL1736
DrugBank DB09346
DrugCentral 1789
EPA CompTox DTXSID6023311
FDA SRS CM1N99QR1M
KEGG C14165
PubChem 2528
SureChEMBL SCHEMBL37641
ZINC ZINC000003831116
CONTENTS