DEFERASIROX

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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 DEFERASIROX

Structure Search

SMILES

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

InChI

InChIKey=BOFQWVMAQOTZIW-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C21H15N3O4
Molecular Weight	373.3615
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 16:13:29 UTC 2023` Edited by `admin` on `Sat Dec 16 16:13:29 UTC 2023`
Record UNII	V8G4MOF2V9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DEFERASIROX

Official Name

English

4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid

Systematic Name

English

BENZOIC ACID, 4-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)-

Common Name

English

DEFERASIROX [VANDF]

Common Name

English

ICL670A

Code

English

OSVERAL

Brand Name

English

ICL670

Code

English

EXJADE

Brand Name

English

deferasirox [INN]

Common Name

English

DEFERASIROX [USAN]

Common Name

English

DEFERASIROX [USP-RS]

Common Name

English

DEFERASIROX [EMA EPAR]

Common Name

English

JADENU SPRINKLE

Brand Name

English

DEFERASIROX [HSDB]

Common Name

English

DEFERASIROX [MART.]

Common Name

English

ICL-670A

Code

English

JADENU

Brand Name

English

Deferasirox [WHO-DD]

Common Name

English

DEFERASIROX [JAN]

Common Name

English

DEFERASIROX [EP MONOGRAPH]

Common Name

English

DEFERASIROX [ORANGE BOOK]

Common Name

English

DEFERASIROX [MI]

Common Name

English

ICL-670

Code

English

Classification Tree Code System Code

EMA ASSESSMENT REPORTS

EXJADE (AUTHORIZED: BETA-THALASSEMIA)

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

FDA ORPHAN DRUG

161002

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

NDF-RT

N0000000144

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

NCI_THESAURUS

C62357

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

NDF-RT

N0000175522

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

WHO-VATC

QV03AC03

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

LIVERTOX

NBK548039

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

WHO-ATC

V03AC03

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

FDA ORPHAN DRUG

354411

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

Code System Code Type Description

NDF-RT

N0000187062

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

Cytochrome P450 2C8 Inhibitors [MoA]

INN

8193

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

PUBCHEM

214348

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

DAILYMED

V8G4MOF2V9

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

NDF-RT

N0000185506

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

Cytochrome P450 3A4 Inducers [MoA]

SMS_ID

100000089570

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

EVMPD

SUB21981

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

WIKIPEDIA

Deferasirox

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

EPA CompTox

DTXSID1048596

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

MERCK INDEX

m4131

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

Merck Index

MESH

C415250

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

LACTMED

Deferasirox

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

CHEBI

49005

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

EU-Orphan Drug

EU/3/02/092(EXPIRED)

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

Please note that this product was withdrawn from the Community Register of designated orphan medicinal products in September 2016 at the end of the period of market exclusivity. On 13 March 2002, orphan designation (EU/3/02/092) was granted by the European Commissin to Novartis Europharm Limited, United Kingdom, for 4-(3,5-bis-(hydroxy-phenyl)-1,2,4)triazol-1-yl)-benzoic acid for the treatment of chronic iron overload requiring chelation therapy.

NCI_THESAURUS

C48384

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

NDF-RT

N0000182138

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

Cytochrome P450 1A2 Inhibitors [MoA]

ChEMBL

CHEMBL550348

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

RS_ITEM_NUM

1165656

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

FDA UNII

V8G4MOF2V9

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

RXCUI

614373

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

RxNorm

CAS

201530-41-8

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

HSDB

7844

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

DRUG CENTRAL

3128

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

DRUG BANK

DB01609

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

USAN

QQ-72

Created by admin on Sat Dec 16 16:13:31 UTC 2023 , Edited by admin on Sat Dec 16 16:13:31 UTC 2023

PRIMARY

Related Record Type Details


					IHQ709299P

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A3

METABOLIC ENZYME -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> INHIBITOR

Interaction Type:

WEAK

Qualification:

IC50

Amount:


					HWT82Q8F2V

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A7

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					VK4SQL11C0

CYTOCHROME P450 1A2

METABOLIC ENZYME -> SUBSTRATE


					9DX651UO0D

CYTOCHROME P450 1A1

METABOLIC ENZYME -> SUBSTRATE

Amount:


					91O4LML611

TARGET->LIGAND

Comments:

Deferasirox is an orally active chelator that is selective for iron (as Fe3+). It is a tridentate ligand that binds iron with high affinity in a 2:1 ratio.

Interaction Type:

BINDING


					0RFO7VC96N

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE


					9DX651UO0D

CYTOCHROME P450 1A1

METABOLIC ENZYME -> INHIBITOR

Interaction Type:

WEAK

Qualification:

IC50

Amount:


					3318TFY23Q

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A9

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR

Related Record Type Details


					904IZ54WYX

DEFERASIROX ACYL-.BETA.-D-GLUCURONIDE

METABOLITE -> PARENT

Qualification:

PLASMA; URINE


					1PZ860690I

5-HYDROXYDEFERASIROX SULFATE

METABOLITE -> PARENT

Qualification:

FECAL; URINE


					3SQ2C73QCB

5'-HYDROXYDEFERASIROX

METABOLITE -> PARENT

Comments:

Presumably by CYP2D6

Qualification:

FECAL


					ELW3P96H5O

5-HYDROXYDEFERASIROX

METABOLITE -> PARENT

Comments:

Presumably by CYP1A

Qualification:

FECAL


					D50PQ1R10Q

DEFERASIROX 2-GLUCURONIDE

METABOLITE -> PARENT

Qualification:

URINE

Related Record Type Details


					FQ3SS25RJ9

2-(2-HYDROXYPHENYL)-4H-1,3-BENZOXAZIN-4-ONE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					9EHE8GE9C5

2-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					QN42R68E24

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					XLJ6Y6W4KV

DEFERASIROX ETHYL ESTER

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					B1R368JE7O

4-HYDRAZINOBENZOIC ACID

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					GS888U2RQ9

3-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Related Record Type Details


					V8G4MOF2V9

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC