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

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

Structure Search

SMILES

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

InChI

InChIKey=KKTHKIBVWVQDIW-UHFFFAOYSA-N

InChI=1S/C21H15N3O4/c25-17-10-3-1-8-15(17)19-22-20(16-9-2-4-11-18(16)26)24(23-19)14-7-5-6-13(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 `Mon Mar 31 23:38:38 GMT 2025` Edited by `admin` on `Mon Mar 31 23:38:38 GMT 2025`
Record UNII	GS888U2RQ9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEFERASIROX IMPURITY D [EP IMPURITY]

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

DEFERASIROX META ISOMER

Common Name

English

Code System Code Type Description

CAS

2254105-61-6

Created by admin on Mon Mar 31 23:38:38 GMT 2025 , Edited by admin on Mon Mar 31 23:38:38 GMT 2025

PRIMARY

PUBCHEM

141204258

Created by admin on Mon Mar 31 23:38:38 GMT 2025 , Edited by admin on Mon Mar 31 23:38:38 GMT 2025

PRIMARY

FDA UNII

GS888U2RQ9

Created by admin on Mon Mar 31 23:38:38 GMT 2025 , Edited by admin on Mon Mar 31 23:38:38 GMT 2025

PRIMARY

Related Record Type Details


					V8G4MOF2V9

DEFERASIROX

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: