oryzalin
Identification (Source:EPA,EU)
| ID |
842 |
| Name |
oryzalin |
| CAS |
19044-88-3 |
| IUPAC |
|
| Inchi |
InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22) |
| CIPAC |
537 |
| EPA Code |
104201 |
| Formula |
C12H18N4O6S |
| SMILES |
[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(=O)(=O)N |
| Status |
Approved |
Classification
Properties (Source:PubChem)
| Molecular Weight |
346.4 |
| Physical State |
Orange crystalline powder |
| AlogP |
2.231 |
| H-Bond Donor |
1 |
| H-Bond Acceptor |
7 |
| Surface Area |
340.6 |
| Polar Surface Area |
163.41 |
Structure
Ecotoxicology (Source:PPDB,IPM)
| Species |
Method |
Study Time |
Dose Type |
Value |
| Algae |
Acute |
72 hour |
EC50, growth |
18.1 mg l-1 |
| Aquatic invertebrates |
Acute |
48 hour |
EC50 |
1.02 mg l-1 |
| Aquatic invertebrates |
Chronic |
21 day |
NOEC |
0.36 mg l-1 |
| Aquatic plants |
Acute |
7 day |
EC50, biomass |
0.0154 mg l-1 |
| Birds |
Short term dietary |
|
LC50/LD50 |
> 1351 mg/kg bw/day |
| Birds |
Acute |
|
LD50 |
427 mg kg-1 |
| Earthworms |
Acute |
14 day |
LD50 |
> 500 mg kg-1 |
| Fish |
Chronic |
21 day |
NOEC |
0.46 mg l-1 |
| Fish |
Acute |
96 hour |
LC50 |
2.86 mg l-1 |
| Honeybees |
Acute |
48 hour |
LD50 |
32 μg bee-1 |
| Mammals |
Acute oral |
|
LD50 |
> 5000 mg kg-1 |
| Mammals |
Short term dietary |
|
NOEL |
> 300 ppm diet |
| Sediment dwelling organisms |
Chronic |
28 day |
NOEC, sediment |
1.0 mg kg-1 |
|
Bio-concentration factor |
|
BCF |
66.1 |
|
Bio-concentration factor |
|
CT50 |
0.6 days |
Related targets
| Target Name |
RScore (About this table) |
|
|
alpha tubulin
|
219(2,3,3,29) |
Details |
|
bradykinin
|
81(1,1,1,1) |
Details |
|
CLASP
|
38(0,1,1,8) |
Details |
|
cyclin
|
37(0,1,1,7) |
Details |
|
MAD2
|
36(0,1,1,6) |
Details |
|
estrogen receptor
|
31(0,1,1,1) |
Details |
|
calcium channel (protein family or complex)
|
14(0,0,2,4) |
Details |
|
kinesin
|
9(0,0,0,9) |
Details |
|
Myosin
|
9(0,0,0,9) |
Details |
|
ATPase
|
9(0,0,1,4) |
Details |
|
CA1
|
9(0,0,1,4) |
Details |
|
gamma tubulin (protein family or complex)
|
8(0,0,0,8) |
Details |
|
Centrin
|
8(0,0,0,8) |
Details |
|
PIN1
|
7(0,0,0,7) |
Details |
|
microtubule associated proteins
|
6(0,0,0,6) |
Details |
|
calmodulin
|
6(0,0,1,1) |
Details |
|
MORN1
|
6(0,0,0,6) |
Details |
|
protein is
|
6(0,0,0,6) |
Details |
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