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Details

Stereochemistry MIXED
Molecular Formula C33H41I5N6O14
Molecular Weight 1380.2328
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((ACETYL(3,5-BIS(((2,3-DIHYDROXYPROPYL)AMINO)CARBONYL)-2,4,6-TRIIODOPHENYL)AMINO)METHYL)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,3-DIHYDRO-5,7-DIIODO-4H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE

SMILES

CC(=O)N(CC1CNC2=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C2O1)C3=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C3I

InChI

InChIKey=LYIJUUXTEQUZFV-UHFFFAOYSA-N
InChI=1S/C33H41I5N6O14/c1-12(49)44(28-25(37)19(31(55)41-3-14(51)9-46)22(34)20(26(28)38)32(56)42-4-15(52)10-47)7-17-6-39-27-24(36)18(30(54)40-2-13(50)8-45)23(35)21(29(27)58-17)33(57)43-5-16(53)11-48/h13-17,39,45-48,50-53H,2-11H2,1H3,(H,40,54)(H,41,55)(H,42,56)(H,43,57)

HIDE SMILES / InChI

Molecular Formula C33H41I5N6O14
Molecular Weight 1380.2328
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 23:49:07 UTC 2023
Edited
by admin
on Fri Dec 15 23:49:07 UTC 2023
Record UNII
UQ2PLG139P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((ACETYL(3,5-BIS(((2,3-DIHYDROXYPROPYL)AMINO)CARBONYL)-2,4,6-TRIIODOPHENYL)AMINO)METHYL)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,3-DIHYDRO-5,7-DIIODO-4H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE
Common Name English
IODIXANOL IMPURITY F [EP IMPURITY]
Common Name English
IODIXANOL RELATED COMPOUND F
USP  
Common Name English
IODIXANOL RELATED COMPOUND F [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
UQ2PLG139P
Created by admin on Fri Dec 15 23:49:07 UTC 2023 , Edited by admin on Fri Dec 15 23:49:07 UTC 2023
PRIMARY
PUBCHEM
15230868
Created by admin on Fri Dec 15 23:49:07 UTC 2023 , Edited by admin on Fri Dec 15 23:49:07 UTC 2023
PRIMARY
CAS
171897-73-7
Created by admin on Fri Dec 15 23:49:07 UTC 2023 , Edited by admin on Fri Dec 15 23:49:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP