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Details

Stereochemistry RACEMIC
Molecular Formula C13H13I3N2O6
Molecular Weight 673.9655
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Acetamido-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide acid

SMILES

CC(=O)NC1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(O)=O)=C1I

InChI

InChIKey=PITIIUZHFWHYNQ-UHFFFAOYSA-N
InChI=1S/C13H13I3N2O6/c1-4(20)18-11-9(15)6(12(22)17-2-5(21)3-19)8(14)7(10(11)16)13(23)24/h5,19,21H,2-3H2,1H3,(H,17,22)(H,18,20)(H,23,24)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5-Acetamido-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide acid
Systematic Name English
3-(Acetylamino)-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid
Preferred Name English
Benzoic acid, 3-(acetylamino)-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodo-
Systematic Name English
Code System Code Type Description
CAS
111453-49-7
Created by admin on Wed Apr 02 18:19:24 GMT 2025 , Edited by admin on Wed Apr 02 18:19:24 GMT 2025
PRIMARY
FDA UNII
LD7W4EZP6D
Created by admin on Wed Apr 02 18:19:24 GMT 2025 , Edited by admin on Wed Apr 02 18:19:24 GMT 2025
PRIMARY
PUBCHEM
22167646
Created by admin on Wed Apr 02 18:19:24 GMT 2025 , Edited by admin on Wed Apr 02 18:19:24 GMT 2025
PRIMARY
NIH
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