EcoDrugPlus


Synonyms	Metrizoate Metrizoic acid V08AA02
Status
Molecule Category	Free-form
ATC	V08AA02
UNII	CM1N99QR1M
EPA CompTox	DTXSID6023311


InChI Key	GGGDNPWHMNJRFN-UHFFFAOYSA-N
Smiles	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)

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

Mechanism of Action	Action	Reference
Diagnostic agent	None	PubMed

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

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

METRIZOIC ACID

Structure

Physicochemical Descriptors

Pharmacology

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