2-((ACETYL(3,5-BIS(((2,3-DIHYDROXYPROPYL)AMINO)CARBONYL)-2,4,6-TRIIODOPHENYL)AMINO)METHYL)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,3-DIHYDRO-5,7-DIIODO-4H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE

Details

Stereochemistry	MIXED
Molecular Formula	C33H41I5N6O14
Molecular Weight	1380.2328
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-((ACETYL(3,5-BIS(((2,3-DIHYDROXYPROPYL)AMINO)CARBONYL)-2,4,6-TRIIODOPHENYL)AMINO)METHYL)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,3-DIHYDRO-5,7-DIIODO-4H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE

Structure Search

SMILES

CC(=O)N(CC1CNC2=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C2O1)C3=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C3I

InChI

InChIKey=LYIJUUXTEQUZFV-UHFFFAOYSA-N

InChI=1S/C33H41I5N6O14/c1-12(49)44(28-25(37)19(31(55)41-3-14(51)9-46)22(34)20(26(28)38)32(56)42-4-15(52)10-47)7-17-6-39-27-24(36)18(30(54)40-2-13(50)8-45)23(35)21(29(27)58-17)33(57)43-5-16(53)11-48/h13-17,39,45-48,50-53H,2-11H2,1H3,(H,40,54)(H,41,55)(H,42,56)(H,43,57)

HIDE SMILES / InChI

Molecular Formula	C33H41I5N6O14
Molecular Weight	1380.2328
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:29:27 GMT 2025` Edited by `admin` on `Mon Mar 31 20:29:27 GMT 2025`
Record UNII	UQ2PLG139P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-((ACETYL(3,5-BIS(((2,3-DIHYDROXYPROPYL)AMINO)CARBONYL)-2,4,6-TRIIODOPHENYL)AMINO)METHYL)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,3-DIHYDRO-5,7-DIIODO-4H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE

Common Name

English

IODIXANOL RELATED COMPOUND F

Preferred Name

English

IODIXANOL IMPURITY F [EP IMPURITY]

Common Name

English

IODIXANOL RELATED COMPOUND F [USP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

UQ2PLG139P

Created by admin on Mon Mar 31 20:29:27 GMT 2025 , Edited by admin on Mon Mar 31 20:29:27 GMT 2025

PRIMARY

PUBCHEM

15230868

Created by admin on Mon Mar 31 20:29:27 GMT 2025 , Edited by admin on Mon Mar 31 20:29:27 GMT 2025

PRIMARY

CAS

171897-73-7

Created by admin on Mon Mar 31 20:29:27 GMT 2025 , Edited by admin on Mon Mar 31 20:29:27 GMT 2025

PRIMARY

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