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Details

Stereochemistry RACEMIC
Molecular Formula C16H20I3N3O7
Molecular Weight 747.0593
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N1-(1,3-Dihydroxypropan-2-yl)-N3-(2-hydroxyethyl)-5-(2-hydroxypropanamido)-2,4,6-triiodoisophthalamide

SMILES

CC(O)C(=O)NC1=C(I)C(C(=O)NCCO)=C(I)C(C(=O)NC(CO)CO)=C1I

InChI

InChIKey=JFGLLCPCXNIKNW-UHFFFAOYSA-N
InChI=1S/C16H20I3N3O7/c1-6(26)14(27)22-13-11(18)8(15(28)20-2-3-23)10(17)9(12(13)19)16(29)21-7(4-24)5-25/h6-7,23-26H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,27)

HIDE SMILES / InChI

Molecular Formula C16H20I3N3O7
Molecular Weight 747.0593
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:56:34 GMT 2025
Edited
by admin
on Wed Apr 02 12:56:34 GMT 2025
Record UNII
AK56V2Q563
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Benzenedicarboxamide, N<SUP>1</SUP>-(2-hydroxyethyl)-N<SUP>3</SUP>-[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodo-
Preferred Name English
N1-(1,3-Dihydroxypropan-2-yl)-N3-(2-hydroxyethyl)-5-(2-hydroxypropanamido)-2,4,6-triiodoisophthalamide
Systematic Name English
N<SUP>1</SUP>-(2-Hydroxyethyl)-N<SUP>3</SUP>-[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide
Systematic Name English
Code System Code Type Description
CAS
76349-97-8
Created by admin on Wed Apr 02 12:56:34 GMT 2025 , Edited by admin on Wed Apr 02 12:56:34 GMT 2025
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FDA UNII
AK56V2Q563
Created by admin on Wed Apr 02 12:56:34 GMT 2025 , Edited by admin on Wed Apr 02 12:56:34 GMT 2025
PRIMARY
PUBCHEM
89302657
Created by admin on Wed Apr 02 12:56:34 GMT 2025 , Edited by admin on Wed Apr 02 12:56:34 GMT 2025
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