U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of IOXABROLIC ACID

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

Approval Year

Name Type Language
IOXABROLIC ACID
INN  
INN  
Official 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
ioxabrolic acid [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28500
Created by admin on Sat Dec 16 17:51:40 GMT 2023 , Edited by admin on Sat Dec 16 17:51:40 GMT 2023
Code System Code Type Description
EVMPD
SUB08263MIG
Created by admin on Sat Dec 16 17:51:40 GMT 2023 , Edited by admin on Sat Dec 16 17:51:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID20242167
Created by admin on Sat Dec 16 17:51:40 GMT 2023 , Edited by admin on Sat Dec 16 17:51:40 GMT 2023
PRIMARY
FDA UNII
LP80S8XS18
Created by admin on Sat Dec 16 17:51:40 GMT 2023 , Edited by admin on Sat Dec 16 17:51:40 GMT 2023
PRIMARY
PUBCHEM
3038468
Created by admin on Sat Dec 16 17:51:40 GMT 2023 , Edited by admin on Sat Dec 16 17:51:40 GMT 2023
PRIMARY
CAS
96191-65-0
Created by admin on Sat Dec 16 17:51:40 GMT 2023 , Edited by admin on Sat Dec 16 17:51:40 GMT 2023
PRIMARY
NCI_THESAURUS
C72081
Created by admin on Sat Dec 16 17:51:40 GMT 2023 , Edited by admin on Sat Dec 16 17:51:40 GMT 2023
PRIMARY
INN
5757
Created by admin on Sat Dec 16 17:51:40 GMT 2023 , Edited by admin on Sat Dec 16 17:51:40 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106392
Created by admin on Sat Dec 16 17:51:40 GMT 2023 , Edited by admin on Sat Dec 16 17:51:40 GMT 2023
PRIMARY
SMS_ID
100000083135
Created by admin on Sat Dec 16 17:51:40 GMT 2023 , Edited by admin on Sat Dec 16 17:51:40 GMT 2023
PRIMARY