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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10I3N2O4.Na
Molecular Weight 649.922
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METRIZOATE SODIUM

SMILES

[Na+].CN(C(C)=O)C1=C(I)C(NC(C)=O)=C(I)C(C([O-])=O)=C1I

InChI

InChIKey=UKIYDXCFKFLIMU-UHFFFAOYSA-M
InChI=1S/C12H11I3N2O4.Na/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);/q;+1/p-1

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 Na
Molecular Weight 22.9898
Charge 1
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

1.36511996E11
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
Increased ventricular fibrillation during coronary arteriography with a new contrast medium preparation.
1971 Oct
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
Acute renal failure in rats. Interaction between contrast media and temporary renal arterial occlusion.
1989 May-Jun
Enrichment and analysis of secretory lysosomes from lymphocyte populations.
2009 Jul 29

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 15:02:56 UTC 2023
Edited
by admin
on Fri Dec 15 15:02:56 UTC 2023
Record UNII
O65Q227UIC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METRIZOATE SODIUM
ORANGE BOOK   USAN  
USAN  
Official Name English
sodium metrizoate [INN]
Common Name English
METRIZOIC ACID SODIUM SALT
MI  
Common Name English
NSC-107431
Code English
METRIZOIC ACID SODIUM SALT [MI]
Common Name English
SODIUM METRIZOATE [JAN]
Common Name English
Sodium metrizoate [WHO-DD]
Common Name English
METRIZOATE SODIUM [ORANGE BOOK]
Common Name English
SODIUM METRIZOATE [MART.]
Common Name English
METRIZOATE SODIUM [USAN]
Common Name English
Sodium 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoate
Systematic Name English
SODIUM METRIZOATE
INN   JAN   MART.   WHO-DD  
INN  
Official Name English
BENZOIC ACID, 3-(ACETYLAMINO)-5-(ACETYLMETHYLAMINO)-2,4,6-TRIIODO-, MONOSODIUM SALT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C390
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
Code System Code Type Description
CAS
7225-61-8
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID4048270
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
ECHA (EC/EINECS)
230-624-0
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL1736
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
INN
1378
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
PUBCHEM
23675747
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
FDA UNII
O65Q227UIC
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
NSC
107431
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
EVMPD
SUB10567MIG
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
MERCK INDEX
m7505
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY Merck Index
DRUG BANK
DBSALT001367
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
SMS_ID
100000083551
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
NCI_THESAURUS
C66140
Created by admin on Fri Dec 15 15:02:56 UTC 2023 , Edited by admin on Fri Dec 15 15:02:56 UTC 2023
PRIMARY
Related Record Type Details
Structure of METRIZOIC ACID
PARENT -> SALT/SOLVATE
NIH
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