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Details

Stereochemistry RACEMIC
Molecular Formula C11H11I3N2O5
Molecular Weight 631.9289
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=URFBLIYCWAORDM-UHFFFAOYSA-N
InChI=1S/C11H11I3N2O5/c12-6-4(10(19)16-1-3(18)2-17)7(13)9(15)8(14)5(6)11(20)21/h3,17-18H,1-2,15H2,(H,16,19)(H,20,21)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide acid
Systematic Name English
3-Amino-5-((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodobenzoic acid
Preferred Name English
3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid
Systematic Name English
Benzoic acid, 3-amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodo-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40473936
Created by admin on Wed Apr 02 18:34:11 GMT 2025 , Edited by admin on Wed Apr 02 18:34:11 GMT 2025
PRIMARY
CAS
111453-32-8
Created by admin on Wed Apr 02 18:34:11 GMT 2025 , Edited by admin on Wed Apr 02 18:34:11 GMT 2025
PRIMARY
PUBCHEM
11828334
Created by admin on Wed Apr 02 18:34:11 GMT 2025 , Edited by admin on Wed Apr 02 18:34:11 GMT 2025
PRIMARY
FDA UNII
PSP5WGH7JU
Created by admin on Wed Apr 02 18:34:11 GMT 2025 , Edited by admin on Wed Apr 02 18:34:11 GMT 2025
PRIMARY
NIH
NCATS
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