CHEBI:3018 - bentazone

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ChEBI Name bentazone
ChEBI ID CHEBI:3018
Definition A benzothiadiazine that is 1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide substituted by an isopropyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H12N2O3S
Net Charge 0
Average Mass 240.27900
Monoisotopic Mass 240.057
InChI InChI=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
InChIKey ZOMSMJKLGFBRBS-UHFFFAOYSA-N
SMILES CC(C)N1C(=O)c2ccccc2NS1(=O)=O
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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(s): herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing 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 Xrefs Databases
71 PPDB
Bentazon Wikipedia
bentazone Alan Wood's Pesticides
C10965 KEGG COMPOUND
LSM-20931 LINCS
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Registry Numbers Types Sources
25057-89-0 CAS Registry Number KEGG COMPOUND
25057-89-0 CAS Registry Number ChemIDplus
530220 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24393062 PubMed citation Europe PMC
24412734 PubMed citation Europe PMC
25281094 PubMed citation Europe PMC
Last Modified
25 February 2016
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag