METRIZOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H11I3N2O4
Molecular Weight	627.9402
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CN(C(C)=O)C1=C(I)C(NC(C)=O)=C(I)C(C(O)=O)=C1I

InChI

InChIKey=GGGDNPWHMNJRFN-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C12H11I3N2O4
Molecular Weight	627.9402
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description

Metrizoic acid is a diagnostic radiopaque that usually occurs as the sodium salt. The mechanism of action of metrizoic acid is as a X-Ray Contrast Activity.

Originator

Approval Year

Conditions

Conditions

Condition	Modality	Targets	Highest Phase	Product
Contrast agent 13	Diagnostic		Approved 8,429	ISOPAQUE 280

C_max

Value	Dose	Co-administered	Analyte	Population
300 μg/mL	2310 mg single, intravenous		METRIZOIC ACID serum	Homo sapiens

AUC

Value	Dose	Co-administered	Analyte	Population
250 μg × h/mL	2310 mg single, intravenous		METRIZOIC ACID serum	Homo sapiens

T_1/2

Value	Dose	Co-administered	Analyte	Population
75.1 min	2310 mg single, intravenous		METRIZOIC ACID serum	Homo sapiens

F_unbound

Value	Dose	Co-administered	Analyte	Population
100%	2310 mg single, intravenous		METRIZOIC ACID serum	Homo sapiens

Sourcing

Sourcing

Show entries

Vendor/Aggregator	ID	URL
ChEBI	CHEBI:34847	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34847
ChemicalBook	CB1775662	https://www.chemicalbook.com/ChemicalProductProperty_EN_CB1775662
MolPort	MolPort-006-147-732	https://www.molport.com/shop/molecule-link/MolPort-006-147-732
ZINC	ZINC000003831116	http://zinc15.docking.org/substances/ZINC000003831116
eMolecules	736293	https://www.emolecules.com/cgi-bin/more?vid=736293