CHEBI:3018 - bentazone

ChEBI IDCHEBI:3018
ChEBI Namebentazone
Stars
DefinitionA benzothiadiazine that is 1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide substituted by an isopropyl group at position 3.
Last Modified25 February 2016
DownloadsMolfile
FormulaC10H12N2O3S
Net Charge0
Average Mass240.284
Monoisotopic Mass240.05686
SMILESCC(C)N1C(=O)c2ccccc2NS1(=O)=O
InChIInChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
InChIKeyZOMSMJKLGFBRBS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
bentazone (CHEBI:3018) has role environmental contaminant (CHEBI:78298)
bentazone (CHEBI:3018) has role herbicide (CHEBI:24527)
bentazone (CHEBI:3018) has role xenobiotic (CHEBI:35703)
bentazone (CHEBI:3018) is a benzothiadiazine (CHEBI:50265)
IUPAC Name 
3-(propan-2-yl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
Manual XrefsDatabases
C10965KEGG COMPOUND
bentazoneAlan Wood's Pesticides
BentazonWikipedia
LSM-20931LINCS
71PPDB
Registry NumbersSources
Reaxys:530220Reaxys
CAS:25057-89-0KEGG COMPOUND
CAS:25057-89-0ChemIDplus
Citations