carboxin

Identification (Source:EPA,EU)

ID 417
Name carboxin
CAS 5234-68-4
IUPAC 5,6-dihydro-2-methyl-1,4-oxathiine-3-carboxanilide
Inchi InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
CIPAC 273
EPA Code 090201
Formula C12H13NO2S
SMILES C1(C(Nc2ccccc2)=O)=C(OCCS1)C
Status Approved

Classification

Mode of Action Systemic, inhibits mitochondrial function
Pesticide Type Fungicide
Chemical Group Oxathiin
Classification anilide fungicides
oxathiin fungicides

Properties (Source:PubChem)

Molecular Weight 235.30
Physical State Colourless crystals
AlogP 1.6
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 223.27
Polar Surface Area 63.63

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 0.48 mg l-1
Aquatic invertebrates Acute 48 hour EC50 > 57 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.32 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.92 mg l-1
Birds Acute LD50 > 2150 mg kg-1
Birds Short term dietary LC50/LD50 > 5000 mg/kg feed
Earthworms Acute 14 day LD50 > 250 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 50 mg kg-1
Fish Acute 96 hour LC50 2.3 mg l-1
Fish Chronic 21 day NOEC 0.32 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 2588 mg kg-1
Mammals Short term dietary NOEL 5.5 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 13
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