METRIZOATE CALCIUM

US Previously Marketed

First approved in 1973

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C12H10I3N2O4.Ca
Molecular Weight	1293.942
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CN(C(C)=O)C1=C(I)C(NC(C)=O)=C(I)C(C([O-])=O)=C1I.CN(C(C)=O)C2=C(I)C(NC(C)=O)=C(I)C(C([O-])=O)=C2I

InChI

InChIKey=PPUUBZDQNSSJDN-UHFFFAOYSA-L

InChI=1S/2C12H11I3N2O4.Ca/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

HIDE SMILES / InChI

Molecular Formula	C12H10I3N2O4
Molecular Weight	626.9322
Charge	-1
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Description
Sources: https://pubchem.ncbi.nlm.nih.gov/compound/Metrizoic_acid#section=Top

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

Condition	Modality	Targets	Highest Phase	Product
Contrast agent 13 Sources: http://www.ncbi.nlm.nih.gov/pubmed/616209	Diagnostic		Approved 8429	ISOPAQUE 280 Approved Use Unknown Launch Date 1.36511996E11

C_max

Value	Dose	Co-administered	Analyte	Population
300 μg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/3375780/	2310 mg single, intravenous dose: 2310 mg route of administration: Intravenous experiment type: SINGLE co-administered:		METRIZOIC ACID serum	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
250 μg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/3375780/	2310 mg single, intravenous dose: 2310 mg route of administration: Intravenous experiment type: SINGLE co-administered:		METRIZOIC ACID serum	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
75.1 min EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/3375780/	2310 mg single, intravenous dose: 2310 mg route of administration: Intravenous experiment type: SINGLE co-administered:		METRIZOIC ACID serum	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN

F_unbound

Value	Dose	Co-administered	Analyte	Population
100% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/3375780/	2310 mg single, intravenous dose: 2310 mg route of administration: Intravenous experiment type: SINGLE co-administered:		METRIZOIC ACID serum	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN

Sourcing

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

PubMed

Title	Date	PubMed
Increased ventricular fibrillation during coronary arteriography with a new contrast medium preparation.	1971 Oct	4106954
ECG changes and arrhythmias induced by ionic and non-ionic contrast media during coronary arteriography in dogs.	1978 May-Jun	711398
Selective injection of iopentol, iohexol and metrizoate into the left coronary artery of the dog. Induction of ventricular fibrillation and decrease of aortic pressure.	1987	2980315
Acute renal failure in rats. Interaction between contrast media and temporary renal arterial occlusion.	1989 May-Jun	2736186

Sample Use Guides

In Vivo Use Guide

0.35 mg/ml; 140.1 mg/ml; 461.8 mg/ml

Route of Administration: Intravascular

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 14:59:30 UTC 2023` Edited by `admin` on `Fri Dec 15 14:59:30 UTC 2023`
Record UNII	1I3Z5LHR6P
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METRIZOATE CALCIUM

Common Name

English

CALCIUM METRIZOATE

Common Name

English

Calcium metrizoate [WHO-DD]

Common Name

English

BENZOIC ACID, 3-(ACETYLAMINO)-5-(ACETYLMETHYLAMINO)-2,4,6-TRIIODO-, CALCIUM SALT (2:1)

Common Name

English

CALCIUM METRIZOATE [ORANGE BOOK]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C390