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

Structure Search

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

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 11:06:08 UTC 2023` Edited by `admin` on `Sat Dec 16 11:06:08 UTC 2023`
Record UNII	9EHE8GE9C5
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 11:06:08 UTC 2023

PRIMARY

PUBCHEM

135817473

Created by admin on Sat Dec 16 11:06:08 UTC 2023 , Edited by admin on Sat Dec 16 11:06:08 UTC 2023

PRIMARY

CAS

201530-78-1

Created by admin on Sat Dec 16 11:06:08 UTC 2023 , Edited by admin on Sat Dec 16 11:06:08 UTC 2023

PRIMARY

Related Record Type Details


					V8G4MOF2V9

DEFERASIROX

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: