benzalkonium chloride
Identification (Source:EPA,EU)
| ID |
312 |
| Name |
benzalkonium chloride |
| CAS |
8001-54-5 |
| IUPAC |
mixture of alkylbenzyldimethylammonium chlorides |
| Inchi |
|
| CIPAC |
8028 |
| EPA Code |
069105 |
| Formula |
e.g. C21H38ClN |
| SMILES |
c1(C[N+](C)(C)*)ccccc1.[ClH-] |
| Status |
Not Approved |
Classification
| Mode of Action |
Rapid action, thought to effect the cytoplasmic membrane that controls cell permeability |
| Pesticide Type |
Biocide, Fungicide, Algicide |
| Chemical Group |
Mixture of alkylbenzyl dimethylammonium chlorides of various alkyl chain lengths |
| Classification |
unclassified fungicides
Algicides
|
Properties (Source:PubChem)
| Molecular Weight |
e.g. 339.99 |
| Physical State |
Yellowish-white powder |
| AlogP |
2.853 |
| H-Bond Donor |
0 |
| H-Bond Acceptor |
0 |
| Surface Area |
396.77 |
| Polar Surface Area |
38.48 |
Structure
Ecotoxicology (Source:PPDB,IPM)
| Species |
Method |
Study Time |
Dose Type |
Value |
| Algae |
Acute |
72 hour |
EC50, growth |
0.18 mg l-1 |
| Aquatic invertebrates |
Acute |
48 hour |
EC50 |
0.11 mg l-1 |
| Fish |
Acute |
96 hour |
LC50 |
0.823 mg l-1 |
| Mammals |
Acute oral |
|
LD50 |
240 mg kg-1 |
Related targets
| Target Name |
RScore (About this table) |
|
|
G proteins
|
881(7,15,18,66) |
Details |
|
bradykinin
|
174(2,2,3,9) |
Details |
|
neuropeptide Y
|
194(1,4,4,24) |
Details |
|
Neuraminidase
|
154(1,3,4,9) |
Details |
|
SP4
|
144(1,3,3,4) |
Details |
|
Substance P
|
163(1,2,6,33) |
Details |
|
calcitonin gene related peptide
|
129(1,2,2,19) |
Details |
|
GABA B receptors
|
119(1,2,3,4) |
Details |
|
AP 1 (protein family or complex)
|
113(1,2,2,3) |
Details |
|
IgE
|
105(1,1,2,20) |
Details |
|
neurotensin
|
91(1,1,2,6) |
Details |
|
Midkine
|
89(1,1,1,9) |
Details |
|
immunoglobulin (protein family or complex)
|
86(1,1,1,6) |
Details |
|
interleukin 1 alpha
|
86(1,1,1,6) |
Details |
|
MUC5AC
|
86(1,1,1,6) |
Details |
|
VDAC
|
85(1,1,1,5) |
Details |
|
SP3
|
85(1,1,1,5) |
Details |
|
Myosin
|
82(1,1,1,2) |
Details |
|
choline acetyltransferase
|
82(1,1,1,2) |
Details |
|
beta 2 adrenoceptor
|
81(1,1,1,1) |
Details |
|
SP1
|
67(0,2,2,7) |
Details |
|
B220
|
59(0,1,1,29) |
Details |
|
p38
|
48(0,1,1,18) |
Details |
|
P2X7
|
48(0,1,2,13) |
Details |
|
mitogen activated protein kinase (protein family or complex)
|
44(0,1,1,14) |
Details |
|
GTPase
|
43(0,1,1,13) |
Details |
|
PAO1
|
40(0,1,2,5) |
Details |
|
TFF1
|
40(0,1,1,10) |
Details |
|
c jun
|
39(0,1,1,9) |
Details |
|
c fos
|
38(0,1,1,8) |
Details |
|
C3a
|
37(0,1,1,7) |
Details |
|
hexosaminidase
|
35(0,1,1,5) |
Details |
|
vasoactive intestinal peptide
|
35(0,1,1,5) |
Details |
|
SP A
|
33(0,1,1,3) |
Details |
|
endothelin 1
|
32(0,1,1,2) |
Details |
|
hydroxypyruvate reductase
|
31(0,1,1,1) |
Details |
|
HEMA
|
31(0,1,1,1) |
Details |
|
cyclooxygenase 2
|
31(0,1,1,1) |
Details |
|
IL 1 beta
|
39(0,0,1,34) |
Details |
|
IL 6
|
37(0,0,2,27) |
Details |
|
C18
|
35(0,0,4,15) |
Details |
|
IL 8
|
32(0,0,1,27) |
Details |
|
CD86
|
28(0,0,1,23) |
Details |
|
tumor necrosis factor alpha
|
22(0,0,1,17) |
Details |
|
ICAM 1
|
20(0,0,1,15) |
Details |
|
albumin
|
19(0,0,2,9) |
Details |
|
somatostatin
|
14(0,0,1,9) |
Details |
|
lactate dehydrogenase (protein family or complex)
|
14(0,0,0,14) |
Details |
|
C10
|
14(0,0,2,4) |
Details |
|
interleukin (protein family or complex)
|
13(0,0,0,13) |
Details |
|
CD40
|
12(0,0,1,7) |
Details |
|
Sno
|
12(0,0,2,2) |
Details |
|
CD4
|
11(0,0,1,6) |
Details |
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