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Details

Stereochemistry ACHIRAL
Molecular Formula C11H9I3N2O4.2H2O
Molecular Weight 649.9441
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIATRIZOIC ACID DIHYDRATE

SMILES

O.O.CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I

InChI

InChIKey=JHQKUXXJPHSPOL-UHFFFAOYSA-N
InChI=1S/C11H9I3N2O4.2H2O/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);2*1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H9I3N2O4
Molecular Weight 613.9136
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

This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. A commonly used x-ray contrast medium. Used, alone or in combination, for a wide variety of diagnostic imaging methods, including angiography, urography, cholangiography, computed tomography, hysterosalpingography, and retrograde pyelography. It can be used for imaging the gastrointestinal tract in patients allergic to barium. Radiopaque agents are drugs used to help diagnose certain medical problems. They contain iodine, which blocks x-rays. Depending on how the radiopaque agent is given, it localizes or builds up in certain areas of the body. The resulting high level of iodine allows the x-rays to make a "picture" of the area. The areas of the body in which the radiopaque agent localizes will appear white on the x-ray film. This creates the needed distinction, or contrast, between one organ and other tissues.

CNS Activity

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Diagnostic
Cystografin
Diagnostic
Gastrografin

Cmax

ValueDoseCo-administeredAnalytePopulation
7 mg/mL
7.2 mg/kg single, intravenous
HYDROGEN IODIDE plasma
Homo sapiens
3.6 mg/mL
3.36 mg/kg single, intravenous
HYDROGEN IODIDE plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
102 min
7.2 mg/kg single, intravenous
HYDROGEN IODIDE plasma
Homo sapiens
110 min
3.36 mg/kg single, intravenous
HYDROGEN IODIDE plasma
Homo sapiens

PubMed

Sample Use Guides

In Vivo Use Guide
The dose for retrograde use in cystography and voiding cystourethrography ranges from 25 to 300 mL depending on the age of the patient and the degree of bladder irritability
Route of Administration: Other
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
408463F217
Record Status Validated (UNII)
Record Version