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Details

Stereochemistry ACHIRAL
Molecular Formula C23H19N3O4
Molecular Weight 401.4147
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEFERASIROX ETHYL ESTER

SMILES

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

InChI

InChIKey=DBCPWOQZLXYJNM-UHFFFAOYSA-N
InChI=1S/C23H19N3O4/c1-2-30-23(29)15-11-13-16(14-12-15)26-22(18-8-4-6-10-20(18)28)24-21(25-26)17-7-3-5-9-19(17)27/h3-14,27-28H,2H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
DEFERASIROX IMPURITY E [EP IMPURITY]
Preferred Name English
DEFERASIROX ETHYL ESTER
Common Name English
BENZOIC ACID, 4-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)-, ETHYL ESTER
Systematic Name English
ETHYL 4-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)BENZOATE
Systematic Name English
Code System Code Type Description
CAS
201530-79-2
Created by admin on Wed Apr 02 12:03:35 GMT 2025 , Edited by admin on Wed Apr 02 12:03:35 GMT 2025
PRIMARY
PUBCHEM
135817477
Created by admin on Wed Apr 02 12:03:35 GMT 2025 , Edited by admin on Wed Apr 02 12:03:35 GMT 2025
PRIMARY
FDA UNII
XLJ6Y6W4KV
Created by admin on Wed Apr 02 12:03:35 GMT 2025 , Edited by admin on Wed Apr 02 12:03:35 GMT 2025
PRIMARY
NIH
NCATS
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