IOXABROLIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H21Br3I3N5O8
Molecular Weight	1127.878
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC(=O)C1=C(Br)C(N(C)C(C)=O)=C(Br)C(C(=O)NCC(=O)NC2=C(I)C(C(=O)NCCO)=C(I)C(C(O)=O)=C2I)=C1Br

InChI

InChIKey=OJCPHFBLBNKCNX-UHFFFAOYSA-N

InChI=1S/C24H21Br3I3N5O8/c1-7(37)35(3)20-14(26)9(21(39)31-2)13(25)10(15(20)27)22(40)33-6-8(38)34-19-17(29)11(23(41)32-4-5-36)16(28)12(18(19)30)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,41)(H,33,40)(H,34,38)(H,42,43)

HIDE SMILES / InChI

Molecular Formula	C24H21Br3I3N5O8
Molecular Weight	1127.878
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://patentimages.storage.googleapis.com/pdfs/96ce5b614252e8475cc4/US20050002865A1.pdf

Ioxabrolic Acid is triiodobenzoic acid derivative and iodine-containing contrast media

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:42:17 GMT 2025` Edited by `admin` on `Wed Apr 02 09:42:17 GMT 2025`
Record UNII	LP80S8XS18
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IOXABROLIC ACID

Official Name

English

ioxabrolic acid [INN]

Preferred Name

English

N-(2-HYDROXYETHYL)-2,4,6-TRIIODO-5-(2-(2,4,6-TRIBROMO-3-(N-METHYLACETAMIDO)-5-(METHYLCARBAMOYL)BENZAMIDO)ACETAMIDO)ISOPHTHALAMIC ACID

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28500