U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H9BrClFN4O
Molecular Weight 383.6029
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(4-BROMO-2-CHLORO-ANILINO)-7-FLUORO-3H-BENZIMIDAZOLE-5-CARBOXAMIDE

SMILES

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

InChI

InChIKey=IXFNVNQCBYGDHB-UHFFFAOYSA-N
InChI=1S/C14H9BrClFN4O/c15-6-1-2-9(8(16)3-6)21-12-7(14(18)22)4-10-13(11(12)17)20-5-19-10/h1-5,21H,(H2,18,22)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C14H9BrClFN4O
Molecular Weight 383.6029
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 Jun 26 10:46:42 UTC 2021
Edited
by admin
on Sat Jun 26 10:46:42 UTC 2021
Record UNII
H0RH509N9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(4-BROMO-2-CHLORO-ANILINO)-7-FLUORO-3H-BENZIMIDAZOLE-5-CARBOXAMIDE
Systematic Name English
SELUMETINIB METABOLITE M12
Common Name English
Code System Code Type Description
PUBCHEM
155491127
Created by admin on Sat Jun 26 10:46:42 UTC 2021 , Edited by admin on Sat Jun 26 10:46:42 UTC 2021
PRIMARY PUBCHEM
FDA UNII
H0RH509N9Z
Created by admin on Sat Jun 26 10:46:42 UTC 2021 , Edited by admin on Sat Jun 26 10:46:42 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
PLASMA