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

Details

Stereochemistry	MIXED
Molecular Formula	C21H28I3N3O10
Molecular Weight	863.1745
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(ACETYL(2,3-DIHYDROXYPROPYL)AMINO)-N-(2-(ACETYLOXY)-3-HYDROXYPROPYL)-N'-(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE

Structure Search

SMILES

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

InChI

InChIKey=IJPPHJTZRLEBFR-UHFFFAOYSA-N

InChI=1S/C21H28I3N3O10/c1-9(31)27(5-12(34)7-29)19-17(23)14(20(35)25-3-11(33)6-28)16(22)15(18(19)24)21(36)26-4-13(8-30)37-10(2)32/h11-13,28-30,33-34H,3-8H2,1-2H3,(H,25,35)(H,26,36)

HIDE SMILES / InChI

Molecular Formula	C21H28I3N3O10
Molecular Weight	863.1745
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:28:23 GMT 2023` Edited by `admin` on `Sat Dec 16 17:28:23 GMT 2023`
Record UNII	O47J07AS6X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

IOHEXOL IMPURITY N [EP IMPURITY]

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

139033168

Created by admin on Sat Dec 16 17:28:23 GMT 2023 , Edited by admin on Sat Dec 16 17:28:23 GMT 2023

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FDA UNII

O47J07AS6X

Created by admin on Sat Dec 16 17:28:23 GMT 2023 , Edited by admin on Sat Dec 16 17:28:23 GMT 2023

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