ipconazole

Identification (Source:EPA,EU)

ID 542
Name ipconazole
CAS 125225-28-7
IUPAC
Inchi InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
CIPAC 789
EPA Code 125628
Formula C18H24ClN3O
SMILES Clc1ccc(cc1)CC2C(O)(C(CC2)C(C)C)Cn3ncnc3
Status PENDING

Classification

Mode of Action Systemic, broad-spectrun, inhibits sterol synthesis in fungi.
Pesticide Type Fungicide
Chemical Group Triazole
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 333.9
Physical State Colourless crystals
AlogP 4.014
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 328.35
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
Aquatic invertebrates Chronic 21 day NOEC 0.13 mg l-1
Aquatic invertebrates Acute 48 hour EC50 1.7 mg l-1
Birds Acute LD50 > 962 mg kg-1
Fish Chronic 21 day NOEC > 0.76 mg l-1
Fish Acute 96 hour LC50 > 0.76 mg l-1
Mammals Acute oral LD50 888 mg kg-1
Bio-concentration factor CT50 ND days
Bio-concentration factor BCF 350
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