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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H15N3O4
Molecular Weight 373.3615
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID

SMILES

OC(=O)C1=C(C=CC=C1)N2N=C(N=C2C3=CC=CC=C3O)C4=CC=CC=C4O

InChI

InChIKey=PDBKAEPAMFPDAZ-UHFFFAOYSA-N
InChI=1S/C21H15N3O4/c25-17-11-5-2-8-14(17)19-22-20(15-9-3-6-12-18(15)26)24(23-19)16-10-4-1-7-13(16)21(27)28/h1-12,25-26H,(H,27,28)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID
Systematic Name English
DEFERASIROX ORTHO ISOMER
Common Name English
BENZOIC ACID, 2-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)-
Systematic Name English
DEFERASIROX IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
9EHE8GE9C5
Created by admin on Sat Dec 16 11:06:08 GMT 2023 , Edited by admin on Sat Dec 16 11:06:08 GMT 2023
PRIMARY
PUBCHEM
135817473
Created by admin on Sat Dec 16 11:06:08 GMT 2023 , Edited by admin on Sat Dec 16 11:06:08 GMT 2023
PRIMARY
CAS
201530-78-1
Created by admin on Sat Dec 16 11:06:08 GMT 2023 , Edited by admin on Sat Dec 16 11:06:08 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966