U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C16H21I2N3O7
Molecular Weight 621.1628
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Acetamido-N<sup>1</sup>,N<sup>3</sup>-bis(2,3-dihydroxypropyl)-4,6-diiodoisophthalamide

SMILES

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

InChI

InChIKey=WQQQXQVADYWZQU-UHFFFAOYSA-N
InChI=1S/C16H21I2N3O7/c1-7(24)21-14-12(17)10(15(27)19-3-8(25)5-22)2-11(13(14)18)16(28)20-4-9(26)6-23/h2,8-9,22-23,25-26H,3-6H2,1H3,(H,19,27)(H,20,28)(H,21,24)

HIDE SMILES / InChI

Molecular Formula C16H21I2N3O7
Molecular Weight 621.1628
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:00:40 GMT 2025
Edited
by admin
on Mon Mar 31 22:00:40 GMT 2025
Record UNII
I58FKB7C2Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Acetamido-N<sup>1</sup>,N<sup>3</sup>-bis(2,3-dihydroxypropyl)-4,6-diiodoisophthalamide
Systematic Name English
(±)-5-ACETAMIDO-N1,N3-BIS(2,3-DIHYDROXYPROPYL)-4,6-DIIODOISOPHTHALAMIDE
Preferred Name English
5-(ACETYLAMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-4,6-DIIODOBENZENE-1,3-DICARBOXAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
139033083
Created by admin on Mon Mar 31 22:00:40 GMT 2025 , Edited by admin on Mon Mar 31 22:00:40 GMT 2025
PRIMARY
FDA UNII
I58FKB7C2Q
Created by admin on Mon Mar 31 22:00:40 GMT 2025 , Edited by admin on Mon Mar 31 22:00:40 GMT 2025
PRIMARY