OCTADECYLTRIMETHYLPHOSPHONIUM CHLORIDE

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Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key CVFVQXOZIJNRLO-UHFFFAOYSA-M
Smiles [Cl-].CCCCCCCCCCCCCCCCCC[P+](C)(C)C
InChI
InChI=1S/C21H46P.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H46ClP
Molecular Weight 365.02
AlogP 8.12
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 17.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 22.0
Assay Description Organism Bioactivity Reference
Antibacterial activity against Escherichia coli IFO 3806 by spread plate method Escherichia coli 200.0 ug.mL-1
Bacteriostatic activity against methicillin-susceptible Staphylococcus aureus IFO 12732 by spread plate method Staphylococcus aureus 0.78 ug.mL-1
Antifungal activity against Trichoderma harzianum by spread plate method Trichoderma harzianum 200.0 ug.mL-1
Antifungal activity against Rhizopus stolonifer ATCC 6227 by spread plate method Rhizopus stolonifer 200.0 ug.mL-1
Antifungal activity against Penicillium citrinum ATCC 9849 by spread plate method Penicillium citrinum 200.0 ug.mL-1
Antifungal activity against Galactomyces geotrichum IFO 6454 by spread plate method Galactomyces geotrichum 200.0 ug.mL-1
Antifungal activity against Candida famata IFO 0380 by spread plate method Candida famata 12.5 ug.mL-1
Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 by spread plate method Pseudomonas aeruginosa 200.0 ug.mL-1
Antibacterial activity against Enterobacter aerogenes by spread plate method Enterobacter aerogenes 200.0 ug.mL-1
Antibacterial activity against Escherichia coli NIHJ by spread plate method Escherichia coli 200.0 ug.mL-1
Bacteriostatic activity against Bacillus subtilis subsp. spizizenii ATCC 6633 by spread plate method Bacillus subtilis subsp. spizizenii ATCC 6633 3.13 ug.mL-1
Bacteriostatic activity against methicillin-resistant Staphylococcus aureus by spread plate method Staphylococcus aureus 1.56 ug.mL-1
Bacteriostatic activity against methicillin-susceptible Staphylococcus aureus 209P by spread plate method Staphylococcus aureus 0.78 ug.mL-1
Bactericidal activity against methicillin-susceptible Staphylococcus aureus IFO 12732 assessed as log10 reduction in viable cell count at 0.28 uM by agar dilution test Staphylococcus aureus None
Bactericidal activity against Escherichia coli IFO 3806 assessed as log10 reduction in viable cell count at 2.8 uM up to 120 min by agar dilution test Escherichia coli 99.9 %
Bactericidal activity against methicillin-susceptible Staphylococcus aureus IFO 12732 assessed as log10 reduction in viable cell count at 2.8 uM up to 30 min by agar dilution test Staphylococcus aureus None
Bactericidal activity against Escherichia coli IFO 3806 assessed as log10 reduction in viable cell count at 0.28 to 280 uM up to 30 min by agar dilution test Escherichia coli None

Cross References

Resources Reference
ChEMBL CHEMBL2253490
PubChem 20031278
SureChEMBL SCHEMBL1866845
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