metolachlor
Identification (Source:EPA,EU)
| ID |
822 |
| Name |
metolachlor |
| CAS |
51218-45-2 |
| IUPAC |
|
| Inchi |
InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3 |
| CIPAC |
400 |
| EPA Code |
108801 |
| Formula |
C15H22ClNO2 |
| SMILES |
CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C |
| Status |
Approved |
Classification
Properties (Source:PubChem)
| Molecular Weight |
283.8 |
| Physical State |
Off-white to colourless liquid |
| AlogP |
3.364 |
| H-Bond Donor |
0 |
| H-Bond Acceptor |
2 |
| Surface Area |
301.41 |
| Polar Surface Area |
29.54 |
Structure
Ecotoxicology (Source:PPDB,IPM)
| Species |
Method |
Study Time |
Dose Type |
Value |
| Algae |
Acute |
72 hour |
EC50, growth |
57.1 mg l-1 |
| Aquatic crustaceans |
Acute |
96 hour |
LC50 |
4.2 mg l-1 |
| Aquatic invertebrates |
Acute |
48 hour |
EC50 |
23.5 mg l-1 |
| Aquatic invertebrates |
Chronic |
21 day |
NOEC |
0.707 mg l-1 |
| Aquatic plants |
Acute |
7 day |
EC50, biomass |
0.043 mg l-1 |
| Birds |
Acute |
|
LD50 |
2000 mg kg-1 |
| Earthworms |
Acute |
14 day |
LD50 |
140 mg kg-1 |
| Fish |
Acute |
96 hour |
LC50 |
3.9 mg l-1 |
| Honeybees |
Acute |
48 hour |
LD50 |
110 μg bee-1 |
| Mammals |
Acute oral |
|
LD50 |
1200 mg kg-1 |
| Mammals |
Short term dietary |
|
NOEL |
90 mg kg-1 |
|
Bio-concentration factor |
|
BCF |
68.8 |
|
Bio-concentration factor |
|
CT50 |
1.5 days |
Related targets
| Target Name |
RScore (About this table) |
|
|
CYP2B6
|
236(2,3,9,16) |
Details |
|
catalase
|
200(2,3,4,5) |
Details |
|
cytochrome P450 (protein family or complex)
|
200(2,3,3,10) |
Details |
|
glutathione S transferases
|
211(1,4,6,31) |
Details |
|
Acetylcholinesterase
|
115(1,2,2,5) |
Details |
|
MDR1
|
114(1,2,2,4) |
Details |
|
PTMA
|
108(1,1,5,8) |
Details |
|
ATPase
|
83(1,1,1,3) |
Details |
|
protein is
|
81(1,1,1,1) |
Details |
|
cod 2
|
81(1,1,1,1) |
Details |
|
Koc
|
81(0,2,4,11) |
Details |
|
ABCC
|
35(0,1,1,5) |
Details |
|
cytochrome P450 3A4
|
34(0,1,1,4) |
Details |
|
glutathione transferase
|
34(0,1,1,4) |
Details |
|
SBP1
|
32(0,1,1,2) |
Details |
|
MRP2
|
32(0,1,1,2) |
Details |
|
BCRP
|
31(0,1,1,1) |
Details |
|
FAME
|
31(0,1,1,1) |
Details |
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