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

Details

Stereochemistry	MIXED
Molecular Formula	C32H38I6N6O13
Molecular Weight	1476.1033
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C2=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(N)=O)=C2I

InChI

InChIKey=ODLMOUNYBXWCKZ-UHFFFAOYSA-N

InChI=1S/C32H38I6N6O13/c1-11(48)43(27-23(35)17(29(39)54)21(33)18(24(27)36)30(55)40-3-13(50)8-45)6-16(53)7-44(12(2)49)28-25(37)19(31(56)41-4-14(51)9-46)22(34)20(26(28)38)32(57)42-5-15(52)10-47/h13-16,45-47,50-53H,3-10H2,1-2H3,(H2,39,54)(H,40,55)(H,41,56)(H,42,57)

HIDE SMILES / InChI

Molecular Formula	C32H38I6N6O13
Molecular Weight	1476.1033
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 `Sat Dec 16 07:59:08 UTC 2023` Edited by `admin` on `Sat Dec 16 07:59:08 UTC 2023`
Record UNII	7R5061X9HX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

IODIXANOL RELATED COMPOUND E

Common Name

English

1,3-BENZENEDICARBOXAMIDE, 5-(ACETYL(3-(ACETYL(3-(AMINOCARBONYL)-5-(((2,3-DIHYDROXYPROPYL)AMINO)CARBONYL)-2,4,6-TRIIODOPHENYL)AMINO)-2-HYDROXYPROPYL)AMINO)-N1,N3-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-

Common Name

English

IODIXANOL RELATED COMPOUND E [USP-RS]

Common Name

English

IODIXANOL IMPURITY E [EP IMPURITY]

Common Name

English

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

Common Name

English

Code System Code Type Description

CAS

255376-57-9

Created by admin on Sat Dec 16 07:59:08 UTC 2023 , Edited by admin on Sat Dec 16 07:59:08 UTC 2023

PRIMARY

RS_ITEM_NUM

1343561

Created by admin on Sat Dec 16 07:59:08 UTC 2023 , Edited by admin on Sat Dec 16 07:59:08 UTC 2023

PRIMARY

PUBCHEM

71315612

Created by admin on Sat Dec 16 07:59:08 UTC 2023 , Edited by admin on Sat Dec 16 07:59:08 UTC 2023

PRIMARY

FDA UNII

7R5061X9HX

Created by admin on Sat Dec 16 07:59:08 UTC 2023 , Edited by admin on Sat Dec 16 07:59:08 UTC 2023

PRIMARY

Related Record Type Details


					HW8W27HTXX

IODIXANOL

PARENT -> IMPURITY

Comments:

For the calculation of total content of impurity E, multiply the peak area of the 1st peak due to impurity E by 1.7

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: