N1-(1,3-Dihydroxypropan-2-yl)-N3-(2-hydroxyethyl)-5-(2-hydroxypropanamide)-2,4,6-triiodisophthalamide, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H20I3N3O7
Molecular Weight	747.0593
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N1-(1,3-Dihydroxypropan-2-yl)-N3-(2-hydroxyethyl)-5-(2-hydroxypropanamide)-2,4,6-triiodisophthalamide, (S)-

Structure Search

SMILES

C[C@H](O)C(=O)NC1=C(I)C(C(=O)NCCO)=C(I)C(C(=O)NC(CO)CO)=C1I

InChI

InChIKey=JFGLLCPCXNIKNW-LURJTMIESA-N

InChI=1S/C16H20I3N3O7/c1-6(26)14(27)22-13-11(18)8(15(28)20-2-3-23)10(17)9(12(13)19)16(29)21-7(4-24)5-25/h6-7,23-26H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,27)/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H20I3N3O7
Molecular Weight	747.0593
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:22:02 GMT 2025` Edited by `admin` on `Mon Mar 31 23:22:02 GMT 2025`
Record UNII	4S833F9URJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N1-(1,3-Dihydroxypropan-2-yl)-N3-(2-hydroxyethyl)-5-(2-hydroxypropanamide)-2,4,6-triiodisophthalamide, (S)-

Systematic Name

English

IOPAMIDOL IMPURITY J

Preferred Name

English

3-N-(1,3-dihydroxypropan-2-yl)-1-N-(2-hydroxyethyl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide

Systematic Name

English

1,3-Benzenedicarboxamide, N-(2-hydroxyethyl)-N?-[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodo-, (S)-

Systematic Name

English

(S)-N1-(1,3-Dihydroxypropan-2-yl)-N3-(2-hydroxyethyl)-5-(2-hydroxypropanamide)-2,4,6-triiodisophthalamide

Systematic Name

English

Code System Code Type Description

FDA UNII

4S833F9URJ

Created by admin on Mon Mar 31 23:22:02 GMT 2025 , Edited by admin on Mon Mar 31 23:22:02 GMT 2025

PRIMARY

PUBCHEM

156613769

Created by admin on Mon Mar 31 23:22:02 GMT 2025 , Edited by admin on Mon Mar 31 23:22:02 GMT 2025

PRIMARY

CAS

77868-44-1

Created by admin on Mon Mar 31 23:22:02 GMT 2025 , Edited by admin on Mon Mar 31 23:22:02 GMT 2025

PRIMARY

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N1-(1,3-Dihydroxypropan-2-yl)-N3-(2-hydroxyethyl)-5-(2-hydroxypropanamido)-2,4,6-triiodoisophthalamide

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