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Details

Stereochemistry ACHIRAL
Molecular Formula C21H15N3O5
Molecular Weight 389.3609
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5'-HYDROXYDEFERASIROX

SMILES

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

InChI

InChIKey=MQRSABJSBPFCLU-UHFFFAOYSA-N
InChI=1S/C21H15N3O5/c25-14-9-10-18(27)16(11-14)20-22-19(15-3-1-2-4-17(15)26)23-24(20)13-7-5-12(6-8-13)21(28)29/h1-11,25-27H,(H,28,29)

HIDE SMILES / InChI

Molecular Formula C21H15N3O5
Molecular Weight 389.3609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:12:01 UTC 2023
Edited
by admin
on Sat Dec 16 10:12:01 UTC 2023
Record UNII
3SQ2C73QCB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5'-HYDROXYDEFERASIROX
Common Name English
4-(5-(2,5-DIHYDROXYPHENYL)-3-(2-HYDROXYPHENYL)-(1,2,4)TRIAZOL-1-YL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-(5-(2,5-DIHYDROXYPHENYL)-3-(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)-
Systematic Name English
DEFERASIROX (M4)
Common Name English
Code System Code Type Description
CAS
524746-13-2
Created by admin on Sat Dec 16 10:12:01 UTC 2023 , Edited by admin on Sat Dec 16 10:12:01 UTC 2023
PRIMARY
FDA UNII
3SQ2C73QCB
Created by admin on Sat Dec 16 10:12:01 UTC 2023 , Edited by admin on Sat Dec 16 10:12:01 UTC 2023
PRIMARY
PUBCHEM
135453359
Created by admin on Sat Dec 16 10:12:01 UTC 2023 , Edited by admin on Sat Dec 16 10:12:01 UTC 2023
PRIMARY
Related Record Type Details
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FECAL