triticonazole

Identification (Source:EPA,EU)

ID 554
Name triticonazole
CAS 131983-72-7
IUPAC
Inchi InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+
CIPAC 652
EPA Code
Formula C17H20ClN3O
SMILES O=C1C(/C(=O)CC(C(=O)OCC)C1)=C(/O)C2CC2
Status Approved

Classification

Mode of Action Inhibits sterol demthylation
Pesticide Type Fungicide
Chemical Group Triazole
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 317.81
Physical State White powder
AlogP 3.397
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 314.72
Polar Surface Area 50.94

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 > 1.0 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.092 mg l-1
Aquatic invertebrates Acute 48 hour EC50 9.0 mg l-1
Aquatic plants Acute 7 day EC50, biomass 1.1 mg l-1
Birds Short term dietary LC50/LD50 > 693 mg/kg bw/day
Birds Acute LD50 > 2000 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction > 250 mg kg-1
Earthworms Acute 14 day LD50 > 500 mg kg-1
Fish Chronic 21 day NOEC 0.01 mg l-1
Fish Acute 96 hour LC50 > 3.6 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 > 2000 mg kg-1
Mammals Short term dietary NOEL > 21 mg kg-1
Mammals Short term dietary NOEL > 250 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.08 mg kg-1
Bio-concentration factor BCF 94
Bio-concentration factor CT50 3 days

Related targets

Target Name RScore (About this table)
C18 1(0,0,0,1) Details
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