2-((6-(4-BROMO-2-CHLORO-ANILINO)-7-FLUORO-3H-BENZIMIDAZOLE-5-CARBONYL)AMINO)OXYACETIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H11BrClFN4O4
Molecular Weight	457.638
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-((6-(4-BROMO-2-CHLORO-ANILINO)-7-FLUORO-3H-BENZIMIDAZOLE-5-CARBONYL)AMINO)OXYACETIC ACID

Structure Search

SMILES

OC(=O)CONC(=O)C1=C(NC2=C(Cl)C=C(Br)C=C2)C(F)=C3N=CNC3=C1

InChI

InChIKey=XVIMSMBERLICDM-UHFFFAOYSA-N

InChI=1S/C16H11BrClFN4O4/c17-7-1-2-10(9(18)3-7)22-14-8(16(26)23-27-5-12(24)25)4-11-15(13(14)19)21-6-20-11/h1-4,6,22H,5H2,(H,20,21)(H,23,26)(H,24,25)

HIDE SMILES / InChI

Molecular Formula	C16H11BrClFN4O4
Molecular Weight	457.638
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 `Wed Apr 02 05:22:02 GMT 2025` Edited by `admin` on `Wed Apr 02 05:22:02 GMT 2025`
Record UNII	6HN5V887FC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-((6-(4-BROMO-2-CHLORO-ANILINO)-7-FLUORO-3H-BENZIMIDAZOLE-5-CARBONYL)AMINO)OXYACETIC ACID

Systematic Name

English

N-DEMETHYL SELUMETINIB CARBOXYLIC ACID, (OXIDATION OF ALCOHOL)-

Preferred Name

English

SELUMETINIB METABOLITE M11

Common Name

English

Code System Code Type Description

FDA UNII

6HN5V887FC

Created by admin on Wed Apr 02 05:22:02 GMT 2025 , Edited by admin on Wed Apr 02 05:22:02 GMT 2025

PRIMARY

PUBCHEM

155804676

Created by admin on Wed Apr 02 05:22:02 GMT 2025 , Edited by admin on Wed Apr 02 05:22:02 GMT 2025

PRIMARY

PUBCHEM

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