boscalid (CHEBI:81822)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	boscalid

ChEBI ID	CHEBI:81822

Definition	A pyridinecarboxamide obtained by formal condensation of the carboxy group of 2-chloronicotinic acid with the amino group of 4'-chlorobiphenyl-2-amine. A fungicide active against a broad range of fungal pathogens including Botrytis spp., Alternaria spp. and Sclerotinia spp. for use on a wide range of crops including fruit, vegetables and ornamentals.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H12Cl2N2O

Net Charge

Average Mass

343.20700

Monoisotopic Mass

342.03267

InChI

InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)

InChIKey

WYEMLYFITZORAB-UHFFFAOYSA-N

SMILES

Clc1ccc(cc1)-c1ccccc1NC(=O)c1cccnc1Cl

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor An EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor that interferes with the action of succinate dehydrogenase (quinone), EC 1.3.5.1. 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. fungicide A substance used to destroy fungal pests. (via anilide fungicide ) (via amide fungicide ) antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. (via amide antifungal agent )

Application(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via anilide fungicide ) (via amide fungicide )

ChEBI Ontology
Outgoing	boscalid (CHEBI:81822) has functional parent nicotinic acid (CHEBI:15940) boscalid (CHEBI:81822) has role antifungal agrochemical (CHEBI:86328) boscalid (CHEBI:81822) has role EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor (CHEBI:83072) boscalid (CHEBI:81822) has role environmental contaminant (CHEBI:78298) boscalid (CHEBI:81822) has role xenobiotic (CHEBI:35703) boscalid (CHEBI:81822) is a anilide fungicide (CHEBI:87015) boscalid (CHEBI:81822) is a biphenyls (CHEBI:22888) boscalid (CHEBI:81822) is a monochlorobenzenes (CHEBI:83403) boscalid (CHEBI:81822) is a pyridinecarboxamide (CHEBI:25529)

Incoming	Boscalid Glc ac a and b (CHEBI:143795) has functional parent boscalid (CHEBI:81822) Mercapturic conjugation of Boscalid (CHEBI:143796) has functional parent boscalid (CHEBI:81822)

IUPAC Name

2-chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide

Synonyms	Sources
2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)-3-pyridinecarboxamide	Alan Wood's Pesticides
2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-carboxamide	Alan Wood's Pesticides

Last Modified

21 July 2015