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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H15N3O8S
Molecular Weight 469.424
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXYDEFERASIROX SULFATE

SMILES

OC(=O)C1=CC=C(C=C1)N2N=C(N=C2C3=C(O)C=CC=C3)C4=C(O)C=CC(OS(O)(=O)=O)=C4

InChI

InChIKey=RNNRJBXISNQMEF-UHFFFAOYSA-N
InChI=1S/C21H15N3O8S/c25-17-4-2-1-3-15(17)20-22-19(16-11-14(9-10-18(16)26)32-33(29,30)31)23-24(20)13-7-5-12(6-8-13)21(27)28/h1-11,25-26H,(H,27,28)(H,29,30,31)

HIDE SMILES / InChI

Approval Year

Name Type Language
5-HYDROXYDEFERASIROX SULFATE
Common Name English
DEFERASIROX (M7)
Common Name English
4-(3-(2-HYDROXY-5-(SULFOOXY)PHENYL)-5-(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID
Systematic Name English
5-SULFATE CONJUGATE OF DEFERASIROX (M1)
Common Name English
Code System Code Type Description
PUBCHEM
135565936
Created by admin on Sat Dec 16 10:12:01 GMT 2023 , Edited by admin on Sat Dec 16 10:12:01 GMT 2023
PRIMARY
FDA UNII
1PZ860690I
Created by admin on Sat Dec 16 10:12:01 GMT 2023 , Edited by admin on Sat Dec 16 10:12:01 GMT 2023
PRIMARY