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Details

Stereochemistry ACHIRAL
Molecular Formula C16H20I3N3O8
Molecular Weight 763.0587
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-((2-HYDROXYACETYL)AMINO)-N1,N3-BIS(2-HYDROXY-1-(HYDROXYMETHYL)ETHYL)-2,4,6-TRIIODO-1,3-BENZENEDICARBOXAMIDE

SMILES

OCC(CO)NC(=O)C1=C(I)C(C(=O)NC(CO)CO)=C(I)C(NC(=O)CO)=C1I

InChI

InChIKey=BPSXCZTZZDIVJV-UHFFFAOYSA-N
InChI=1S/C16H20I3N3O8/c17-11-9(15(29)20-6(1-23)2-24)12(18)14(22-8(28)5-27)13(19)10(11)16(30)21-7(3-25)4-26/h6-7,23-27H,1-5H2,(H,20,29)(H,21,30)(H,22,28)

HIDE SMILES / InChI

Molecular Formula C16H20I3N3O8
Molecular Weight 763.0587
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:37:43 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:43 GMT 2023
Record UNII
54K5BMM8OD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((2-HYDROXYACETYL)AMINO)-N1,N3-BIS(2-HYDROXY-1-(HYDROXYMETHYL)ETHYL)-2,4,6-TRIIODO-1,3-BENZENEDICARBOXAMIDE
Common Name English
IOPAMIDOL RELATED COMPOUND B [USP-RS]
Common Name English
IOPAMIDOL RELATED COMPOUND B [USP IMPURITY]
Common Name English
5-GLYCOLAMIDO-N,N'-BIS(2-HYDROXY-1-(HYDROXYMETHYL)ETHYL)-2,4,6-TRIIODOISOPHTHALAMIDE)
Systematic Name English
1,3-BENZENEDICARBOXAMIDE, 5-((2-HYDROXYACETYL)AMINO)-N1,N3-BIS(2-HYDROXY-1-(HYDROXYMETHYL)ETHYL)-2,4,6-TRIIODO-
Systematic Name English
Code System Code Type Description
CAS
77868-41-8
Created by admin on Sat Dec 16 10:37:43 GMT 2023 , Edited by admin on Sat Dec 16 10:37:43 GMT 2023
PRIMARY
RS_ITEM_NUM
1344735
Created by admin on Sat Dec 16 10:37:43 GMT 2023 , Edited by admin on Sat Dec 16 10:37:43 GMT 2023
PRIMARY
FDA UNII
54K5BMM8OD
Created by admin on Sat Dec 16 10:37:43 GMT 2023 , Edited by admin on Sat Dec 16 10:37:43 GMT 2023
PRIMARY
PUBCHEM
13589964
Created by admin on Sat Dec 16 10:37:43 GMT 2023 , Edited by admin on Sat Dec 16 10:37:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
USP