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Details

Stereochemistry ACHIRAL
Molecular Formula C11H8I3N2O4.Na
Molecular Weight 629.8959
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIATRIZOATE SODIUM I-125

SMILES

[Na+].CC(=O)NC1=C([125I])C(C([O-])=O)=C([125I])C(NC(C)=O)=C1[125I]

InChI

InChIKey=ZEYOIOAKZLALAP-SQHZOQHUSA-M
InChI=1S/C11H9I3N2O4.Na/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);/q;+1/p-1/i12-2,13-2,14-2;

HIDE SMILES / InChI

Molecular Formula C11H8I3N2O4
Molecular Weight 606.9061
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
75P8ODS709
Record Status Validated (UNII)
Record Version