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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H11I3N2O5
Molecular Weight 655.9503
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ACETAMIDO-5-(DIACETYLAMINO)-2,4,6-TRIIODO-BENZOIC ACID

SMILES

CC(=O)NC1=C(I)C(N(C(C)=O)C(C)=O)=C(I)C(C(O)=O)=C1I

InChI

InChIKey=IOCMCOBDQMZKTD-UHFFFAOYSA-N
InChI=1S/C13H11I3N2O5/c1-4(19)17-11-8(14)7(13(22)23)9(15)12(10(11)16)18(5(2)20)6(3)21/h1-3H3,(H,17,19)(H,22,23)

HIDE SMILES / InChI

Molecular Formula C13H11I3N2O5
Molecular Weight 655.9503
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:21:20 GMT 2023
Edited
by admin
on Sat Dec 16 15:21:20 GMT 2023
Record UNII
A4H3J24TVB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ACETAMIDO-5-(DIACETYLAMINO)-2,4,6-TRIIODO-BENZOIC ACID
Systematic Name English
AMIDOTRIZOIC ACID DIHYDRATE IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
155929062
Created by admin on Sat Dec 16 15:21:20 GMT 2023 , Edited by admin on Sat Dec 16 15:21:20 GMT 2023
PRIMARY
FDA UNII
A4H3J24TVB
Created by admin on Sat Dec 16 15:21:20 GMT 2023 , Edited by admin on Sat Dec 16 15:21:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP