5-(Acetyl(2,3-dihydroxypropyl)amino)-N-(2-(2,3-dihydroxypropoxy)-3-hydroxypropyl)-N'-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

Details

Stereochemistry	MIXED
Molecular Formula	C22H32I3N3O11
Molecular Weight	895.2164
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(Acetyl(2,3-dihydroxypropyl)amino)-N-(2-(2,3-dihydroxypropoxy)-3-hydroxypropyl)-N'-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

Structure Search

SMILES

CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(CO)OCC(O)CO)=C1I

InChI

InChIKey=DCSIAVJUBAOCSN-UHFFFAOYSA-N

InChI=1S/C22H32I3N3O11/c1-10(33)28(4-12(35)6-30)20-18(24)15(21(37)26-2-11(34)5-29)17(23)16(19(20)25)22(38)27-3-14(8-32)39-9-13(36)7-31/h11-14,29-32,34-36H,2-9H2,1H3,(H,26,37)(H,27,38)

HIDE SMILES / InChI

Molecular Formula	C22H32I3N3O11
Molecular Weight	895.2164
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 21:52:08 GMT 2025` Edited by `admin` on `Mon Mar 31 21:52:08 GMT 2025`
Record UNII	UT9A6Y37SC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-(Acetyl(2,3-dihydroxypropyl)amino)-N-(2-(2,3-dihydroxypropoxy)-3-hydroxypropyl)-N'-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

Systematic Name

English

IOHEXOL IMPURITY E [EP IMPURITY]

Preferred Name

English

(±)-5-(ACETYL(2,3-DIHYDROXYPROPYL)AMINO)-N-(2-(2,3-DIHYDROXYPROPOXY)-3-HYDROXYPROPYL)-N'-(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE

Systematic Name

English

Code System Code Type Description

CAS

2727061-52-9

Created by admin on Mon Mar 31 21:52:08 GMT 2025 , Edited by admin on Mon Mar 31 21:52:08 GMT 2025

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FDA UNII

UT9A6Y37SC

Created by admin on Mon Mar 31 21:52:08 GMT 2025 , Edited by admin on Mon Mar 31 21:52:08 GMT 2025

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PUBCHEM

139033208

Created by admin on Mon Mar 31 21:52:08 GMT 2025 , Edited by admin on Mon Mar 31 21:52:08 GMT 2025

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