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Details

Stereochemistry MIXED
Molecular Formula C32H38I6N6O13
Molecular Weight 1476.1033
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(ACETYL(3-(ACETYL(3-CARBAMOYL-5-((2,3-DIHYDROXYPROPYL)CARBAMOYL)-2,4,6-TRIIODOPHENYL)AMINO)-2-HYDROXYPROPYL)AMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE

SMILES

CC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C2=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(N)=O)=C2I

InChI

InChIKey=ODLMOUNYBXWCKZ-UHFFFAOYSA-N
InChI=1S/C32H38I6N6O13/c1-11(48)43(27-23(35)17(29(39)54)21(33)18(24(27)36)30(55)40-3-13(50)8-45)6-16(53)7-44(12(2)49)28-25(37)19(31(56)41-4-14(51)9-46)22(34)20(26(28)38)32(57)42-5-15(52)10-47/h13-16,45-47,50-53H,3-10H2,1-2H3,(H2,39,54)(H,40,55)(H,41,56)(H,42,57)

HIDE SMILES / InChI

Molecular Formula C32H38I6N6O13
Molecular Weight 1476.1033
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:48:15 GMT 2025
Edited
by admin
on Mon Mar 31 21:48:15 GMT 2025
Record UNII
7R5061X9HX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IODIXANOL RELATED COMPOUND E
USP-RS  
Preferred Name English
5-(ACETYL(3-(ACETYL(3-CARBAMOYL-5-((2,3-DIHYDROXYPROPYL)CARBAMOYL)-2,4,6-TRIIODOPHENYL)AMINO)-2-HYDROXYPROPYL)AMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE
Common Name English
1,3-BENZENEDICARBOXAMIDE, 5-(ACETYL(3-(ACETYL(3-(AMINOCARBONYL)-5-(((2,3-DIHYDROXYPROPYL)AMINO)CARBONYL)-2,4,6-TRIIODOPHENYL)AMINO)-2-HYDROXYPROPYL)AMINO)-N1,N3-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-
Common Name English
IODIXANOL RELATED COMPOUND E [USP-RS]
Common Name English
IODIXANOL IMPURITY E [EP IMPURITY]
Common Name English
(±)-5-(ACETYL(3-(ACETYL(3-CARBAMOYL-5-((2,3-DIHYDROXYPROPYL)CARBAMOYL)-2,4,6-TRIIODOPHENYL)AMINO)-2-HYDROXYPROPYL)AMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE
Common Name English
Code System Code Type Description
CAS
255376-57-9
Created by admin on Mon Mar 31 21:48:15 GMT 2025 , Edited by admin on Mon Mar 31 21:48:15 GMT 2025
PRIMARY
RS_ITEM_NUM
1343561
Created by admin on Mon Mar 31 21:48:15 GMT 2025 , Edited by admin on Mon Mar 31 21:48:15 GMT 2025
PRIMARY
PUBCHEM
71315612
Created by admin on Mon Mar 31 21:48:15 GMT 2025 , Edited by admin on Mon Mar 31 21:48:15 GMT 2025
PRIMARY
FDA UNII
7R5061X9HX
Created by admin on Mon Mar 31 21:48:15 GMT 2025 , Edited by admin on Mon Mar 31 21:48:15 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY