benthiavalicarb

Identification (Source:EPA,EU)

ID 452
Name benthiavalicarb
CAS 413615-35-7
IUPAC
Inchi InChI=1S/C15H18FN3O3S/c1-7(2)12(19-15(21)22)13(20)17-8(3)14-18-10-5-4-9(16)6-11(10)23-14/h4-8,12,19H,1-3H3,(H,17,20)(H,21,22)/t8-,12+/m1/s1
CIPAC 744
EPA Code 098379
Formula C15H18FN3O3S
SMILES CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Status Approved

Classification

Mode of Action Protective and curative action with residual effects, inhibits phospholipid biosynthesis
Pesticide Type Fungicide
Chemical Group Carbamate
Classification benzothiazole fungicides
carbamate fungicides
valinamide fungicides

Properties (Source:PubChem)

Molecular Weight 381.46
Physical State White powder
AlogP 2.728
H-Bond Donor 3
H-Bond Acceptor 4
Surface Area 325.08
Polar Surface Area 119.56

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 > 10 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 3 mg l-1
Aquatic invertebrates Acute 48 hour EC50 > 10 mg l-1
Birds Acute LD50 > 2000 mg kg-1
Birds Short term dietary LC50/LD50 877 mg/kg bw/day
Earthworms Acute 14 day LD50 > 1000 mg kg-1
Fish Acute 96 hour LC50 > 10 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
Mammals Short term dietary NOEL > 200 ppm diet
Mammals Short term dietary NOEL > 14 mg kg-1
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