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

Details

Stereochemistry MIXED
Molecular Formula C16H20I3N3O7
Molecular Weight 747.0593
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(ACETYLAMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE

SMILES

CC(=O)NC1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I

InChI

InChIKey=BHCBLTRDEYPMFZ-UHFFFAOYSA-N
InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25)

HIDE SMILES / InChI

Molecular Formula C16H20I3N3O7
Molecular Weight 747.0593
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:51:42 GMT 2023
Edited
by admin
on Sat Dec 16 09:51:42 GMT 2023
Record UNII
BK2UH2P436
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(ACETYLAMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE
Systematic Name English
IODIXANOL IMPURITY B [EP IMPURITY]
Common Name English
5-(ACETYLAMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-1,3-BENZENEDICARBOXAMIDE
Systematic Name English
5-ACETYLAMINO-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOISOPHTHALAMIDE
Systematic Name English
ISOPHTHALAMIDE, 5-ACETAMIDO-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-
Systematic Name English
1,3-BENZENEDICARBOXAMIDE, 5-(ACETYLAMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-
Systematic Name English
IOHEXOL RELATED COMPOUND A [USP IMPURITY]
Common Name English
IODIXANOL RELATED COMPOUND B [USP IMPURITY]
Common Name English
IOHEXOL RELATED COMPOUND A [USP-RS]
Common Name English
IODIXANOL RELATED COMPOUND B
USP  
Common Name English
IOHEXOL IMPURITY A [EP IMPURITY]
Common Name English
1,3-BENZENEDICARBOXAMIDE, 5-(ACETYLAMINO)-N1,N3-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-
Systematic Name English
IOHEXOL RELATED COMPOUND A
USP   USP-RS  
Common Name English
(±)-5-(ACETYLAMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
BK2UH2P436
Created by admin on Sat Dec 16 09:51:42 GMT 2023 , Edited by admin on Sat Dec 16 09:51:42 GMT 2023
PRIMARY
CAS
31127-80-7
Created by admin on Sat Dec 16 09:51:42 GMT 2023 , Edited by admin on Sat Dec 16 09:51:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID20953226
Created by admin on Sat Dec 16 09:51:42 GMT 2023 , Edited by admin on Sat Dec 16 09:51:42 GMT 2023
PRIMARY
PUBCHEM
11115326
Created by admin on Sat Dec 16 09:51:42 GMT 2023 , Edited by admin on Sat Dec 16 09:51:42 GMT 2023
PRIMARY
RS_ITEM_NUM
1344622
Created by admin on Sat Dec 16 09:51:42 GMT 2023 , Edited by admin on Sat Dec 16 09:51:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP