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

Details

Stereochemistry MIXED
Molecular Formula C22H32I3N3O11
Molecular Weight 895.2164
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(Acetyl(3-(2,3-dihydroxypropoxy)-2-hydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

SMILES

CC(=O)N(CC(O)COCC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I

InChI

InChIKey=GPOWNGGPRNODKE-UHFFFAOYSA-N
InChI=1S/C22H32I3N3O11/c1-10(32)28(4-13(35)8-39-9-14(36)7-31)20-18(24)15(21(37)26-2-11(33)5-29)17(23)16(19(20)25)22(38)27-3-12(34)6-30/h11-14,29-31,33-36H,2-9H2,1H3,(H,26,37)(H,27,38)

HIDE SMILES / InChI

Approval Year

Name Type Language
5-(Acetyl(3-(2,3-dihydroxypropoxy)-2-hydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Systematic Name English
IOHEXOL IMPURITY B [EP IMPURITY]
Preferred Name English
(±)-5-(ACETYL(3-(2,3-DIHYDROXYPROPOXY)-2-HYDROXYPROPYL)AMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE
Systematic Name English
1,3-Benzenedicarboxamide, 5-[acetyl[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl]amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
Systematic Name English
Code System Code Type Description
PUBCHEM
139033014
Created by admin on Mon Mar 31 22:36:09 GMT 2025 , Edited by admin on Mon Mar 31 22:36:09 GMT 2025
PRIMARY
CAS
2732209-64-0
Created by admin on Mon Mar 31 22:36:09 GMT 2025 , Edited by admin on Mon Mar 31 22:36:09 GMT 2025
PRIMARY
FDA UNII
A7K8PH75SJ
Created by admin on Mon Mar 31 22:36:09 GMT 2025 , Edited by admin on Mon Mar 31 22:36:09 GMT 2025
PRIMARY