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Details

Stereochemistry ACHIRAL
Molecular Formula 2C12H10I3N2O4.Mg
Molecular Weight 1278.1694
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METRIZOATE MAGNESIUM

SMILES

[Mg++].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=QGZYHVVYXBFUSE-UHFFFAOYSA-L
InChI=1S/2C12H11I3N2O4.Mg/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 Mg
Molecular Weight 24.305
Charge 2
Count
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

1973
98
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Diagnostic
Approved
8429
ISOPAQUE 280

Approved Use

Unknown

Launch Date

1974
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
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

AUC

ValueDoseCo-administeredAnalytePopulation
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
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
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
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
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

Sourcing

Vendor/AggregatorIDURL
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

PubMed

TitleDatePubMed
Adverse general reactions to high doses of methylglucamine-based contrast media.
1974 Sep
ECG changes and arrhythmias induced by ionic and non-ionic contrast media during coronary arteriography in dogs.
1978 May-Jun

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 15:04:44 GMT 2023
Edited
by admin
on Fri Dec 15 15:04:44 GMT 2023
Record UNII
V717MS5D5B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METRIZOATE MAGNESIUM
ORANGE BOOK  
Common Name English
METRIZOATE MAGNESIUM [ORANGE BOOK]
Common Name English
Magnesium metrizoate [WHO-DD]
Common Name English
MAGNESIUM METRIZOATE
WHO-DD  
Common Name English
BENZOIC ACID, 3-(ACETYLAMINO)-5-(ACETYLMETHYLAMINO)-2,4,6-TRIIODO-, MAGNESIUM SALT (2:1)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C390
Created by admin on Fri Dec 15 15:04:44 GMT 2023 , Edited by admin on Fri Dec 15 15:04:44 GMT 2023
Code System Code Type Description
CAS
20968-37-0
Created by admin on Fri Dec 15 15:04:44 GMT 2023 , Edited by admin on Fri Dec 15 15:04:44 GMT 2023
PRIMARY
ChEMBL
CHEMBL1736
Created by admin on Fri Dec 15 15:04:44 GMT 2023 , Edited by admin on Fri Dec 15 15:04:44 GMT 2023
PRIMARY
FDA UNII
V717MS5D5B
Created by admin on Fri Dec 15 15:04:44 GMT 2023 , Edited by admin on Fri Dec 15 15:04:44 GMT 2023
PRIMARY
DRUG BANK
DBSALT001366
Created by admin on Fri Dec 15 15:04:44 GMT 2023 , Edited by admin on Fri Dec 15 15:04:44 GMT 2023
PRIMARY
NCI_THESAURUS
C76045
Created by admin on Fri Dec 15 15:04:44 GMT 2023 , Edited by admin on Fri Dec 15 15:04:44 GMT 2023
PRIMARY
SMS_ID
100000086178
Created by admin on Fri Dec 15 15:04:44 GMT 2023 , Edited by admin on Fri Dec 15 15:04:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-130-8
Created by admin on Fri Dec 15 15:04:44 GMT 2023 , Edited by admin on Fri Dec 15 15:04:44 GMT 2023
PRIMARY
EVMPD
SUB03033MIG
Created by admin on Fri Dec 15 15:04:44 GMT 2023 , Edited by admin on Fri Dec 15 15:04:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID901027371
Created by admin on Fri Dec 15 15:04:44 GMT 2023 , Edited by admin on Fri Dec 15 15:04:44 GMT 2023
PRIMARY
PUBCHEM
10080104
Created by admin on Fri Dec 15 15:04:44 GMT 2023 , Edited by admin on Fri Dec 15 15:04:44 GMT 2023
PRIMARY
Related Record Type Details
Structure of METRIZOIC ACID
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of METRIZOIC ACID
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