Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 04:32:24 UTC
Update Date2022-08-31 06:35:39 UTC
Metabolite IDMMDBc0013194
Metabolite Identification
Common NameWB2838
Descriptionaminopyrrolnitrin, also known as WB 2838, belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. aminopyrrolnitrin is a moderately basic compound (based on its pKa).
Structure
Synonyms
ValueSource
3-Chloro-4-(2-amino-3-chlorophenyl)pyrroleChEBI
WB 2838ChEBI
WB-2838ChEBI
Molecular FormulaC10H8Cl2N2
Average Mass227.09
Monoisotopic Mass226.0064537
IUPAC Name2-chloro-6-(4-chloro-1H-pyrrol-3-yl)aniline
Traditional Name2-chloro-6-(4-chloro-1H-pyrrol-3-yl)aniline
CAS Registry NumberNot Available
SMILES
NC1=C(Cl)C=CC=C1C1=CNC=C1Cl
InChI Identifier
InChI=1S/C10H8Cl2N2/c11-8-3-1-2-6(10(8)13)7-4-14-5-9(7)12/h1-5,14H,13H2
InChI KeyRWAXAHFFXZKMPA-UHFFFAOYSA-N