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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 C11H9I3N2O4
Molecular Weight 613.9136
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:50:55 UTC 2023
Edited
by admin
on Fri Dec 15 18:50:55 UTC 2023
Record UNII
408463F217
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIATRIZOIC ACID DIHYDRATE
Common Name English
AMIDOTRIZOIC ACID DIHYDRATE
Common Name English
AMIDOTRIZOIC ACID, DEHYDRATE [WHO-IP]
Common Name English
ACIDUM AMIDOTRIZOICUM, DEHYDRATE [WHO-IP LATIN]
Common Name English
AMIDOTRIZOIC ACID DIHYDRATE [EP MONOGRAPH]
Common Name English
BENZOIC ACID, 3,5-BIS(ACETYLAMINO)-2,4,6-TRIIODO-, HYDRATE (1:2)
Common Name English
Code System Code Type Description
SMS_ID
100000076674
Created by admin on Fri Dec 15 18:50:55 UTC 2023 , Edited by admin on Fri Dec 15 18:50:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID1048960
Created by admin on Fri Dec 15 18:50:55 UTC 2023 , Edited by admin on Fri Dec 15 18:50:55 UTC 2023
PRIMARY
CAS
50978-11-5
Created by admin on Fri Dec 15 18:50:55 UTC 2023 , Edited by admin on Fri Dec 15 18:50:55 UTC 2023
PRIMARY
EVMPD
SUB11703MIG
Created by admin on Fri Dec 15 18:50:55 UTC 2023 , Edited by admin on Fri Dec 15 18:50:55 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
DIATRIZOIC ACID DIHYDRATE
Created by admin on Fri Dec 15 18:50:55 UTC 2023 , Edited by admin on Fri Dec 15 18:50:55 UTC 2023
PRIMARY Description: A white or almost white, crystalline powder; odourless. Solubility: Very slightly soluble in water and ethanol (~750 g/l) TS; soluble in dimethylformamide R; sparingly soluble in methanol R; practically insoluble in ether R; dissolves in solutions of alkali hydroxides. Category: Used in the preparation of meglumine amidotrizoate as a radiocontrast medium. Storage: Amidotrizoic acid should be kept in a well-closed container, protected from light. Labelling: The designation on the container of amidotrizoic acid should state whether the substance is the dihydrate or the anhydrous form. Requirement: Amidotrizoic acid contains not less than 98.0% and not more than the equivalent of 102.0% of C11H9I3N2O4, calculated with reference to the dried substance.
PUBCHEM
12598086
Created by admin on Fri Dec 15 18:50:55 UTC 2023 , Edited by admin on Fri Dec 15 18:50:55 UTC 2023
PRIMARY
FDA UNII
408463F217
Created by admin on Fri Dec 15 18:50:55 UTC 2023 , Edited by admin on Fri Dec 15 18:50:55 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP