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 1974

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
Adverse general reactions to high doses of methylglucamine-based contrast media.	1974 Sep	4424022
ECG changes and arrhythmias induced by ionic and non-ionic contrast media during coronary arteriography in dogs.	1978 May-Jun	711398
Enrichment and analysis of secretory lysosomes from lymphocyte populations.	2009 Jul 29	19640298

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 GMT 2023` Edited by `admin` on `Fri Dec 15 14:59:30 GMT 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