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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11BrClFN4O4
Molecular Weight 457.6384
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

SMILES

c1cc(c(cc1Br)Cl)Nc2c(cc3c(c2F)[nH]cn3)C(=NOCC(=O)O)O

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 457.6384
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 Fri Jun 25 23:52:29 UTC 2021
Edited
by admin
on Fri Jun 25 23:52:29 UTC 2021
Record UNII
6HN5V887FC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((6-(4-BROMO-2-CHLORO-ANILINO)-7-FLUORO-3H-BENZIMIDAZOLE-5-CARBONYL)AMINO)OXYACETIC ACID
Systematic Name English
SELUMETINIB METABOLITE M11
Common Name English
N-DEMETHYL SELUMETINIB CARBOXYLIC ACID, (OXIDATION OF ALCOHOL)-
Common Name English
Code System Code Type Description
FDA UNII
6HN5V887FC
Created by admin on Fri Jun 25 23:52:29 UTC 2021 , Edited by admin on Fri Jun 25 23:52:29 UTC 2021
PRIMARY
PUBCHEM
155804676
Created by admin on Fri Jun 25 23:52:29 UTC 2021 , Edited by admin on Fri Jun 25 23:52:29 UTC 2021
PRIMARY PUBCHEM
Related Record Type Details
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AMOUNT EXCRETED
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PARENT -> METABOLITE
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