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Details

Stereochemistry MIXED
Molecular Formula C21H28I3N3O10
Molecular Weight 863.1745
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=IJPPHJTZRLEBFR-UHFFFAOYSA-N
InChI=1S/C21H28I3N3O10/c1-9(31)27(5-12(34)7-29)19-17(23)14(20(35)25-3-11(33)6-28)16(22)15(18(19)24)21(36)26-4-13(8-30)37-10(2)32/h11-13,28-30,33-34H,3-8H2,1-2H3,(H,25,35)(H,26,36)

HIDE SMILES / InChI

Molecular Formula C21H28I3N3O10
Molecular Weight 863.1745
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:08:54 GMT 2025
Edited
by admin
on Wed Apr 02 09:08:54 GMT 2025
Record UNII
O47J07AS6X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(Acetyl(2,3-dihydroxypropyl)amino)-N-(2-(acetyloxy)-3-hydroxypropyl)-N'-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Systematic Name English
1,3-Benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N1-[2-(acetyloxy)-3-hydroxypropyl]-N3-(2,3-dihydroxypropyl)-2,4,6-triiodo-
Preferred Name English
IOHEXOL IMPURITY N [EP IMPURITY]
Common Name English
(±)-5-(ACETYL(2,3-DIHYDROXYPROPYL)AMINO)-N-(2-(ACETYLOXY)-3-HYDROXYPROPYL)-N'-(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
139033168
Created by admin on Wed Apr 02 09:08:54 GMT 2025 , Edited by admin on Wed Apr 02 09:08:54 GMT 2025
PRIMARY
CAS
2730989-02-1
Created by admin on Wed Apr 02 09:08:54 GMT 2025 , Edited by admin on Wed Apr 02 09:08:54 GMT 2025
PRIMARY
FDA UNII
O47J07AS6X
Created by admin on Wed Apr 02 09:08:54 GMT 2025 , Edited by admin on Wed Apr 02 09:08:54 GMT 2025
PRIMARY
Related Record Type Details
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