Poly[[2-[(3,7-dimethyloCtyl)oxy]-5-methoxy-1,4-phenylene]-1,2-ethenediyl]

Product Information

Molecular Formula:
(C19H28O2)n
Molecular Weight:
375.864223
Description
MDMO-PPV is a dialkoxy substituted poly(p-phenylenevinylene) (PPV) based conjugating polymer which has long side chains that form flexible films for organic electronics. It is a piezoresistant polymer with HOMO and LUMO orbital positions at 5.4 and 3.4 eV, respectively. MDMO-PPV forms an active layer that can be used in photoconductive and electroluminescent applications
Synonyms
haloperidol; Haldol; Eukystol; Serenace; Aloperidin; Aloperidol
IUPAC Name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Canonical SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
InChI Key
LNEPOXFFQSENCJ-UHFFFAOYSA-N
Melting Point
216 ℃
Flash Point
Not applicable
Purity
95%
Solubility
soluble in Toluene, Xylene, THF, Chloroform, Chlorobenzene, Cyclohexanone
Appearance
Crystals
Application
Occupational asthma reported in electronics industry and in paint and glue workers; Allergic contact dermatitis in construction workers, shoemakers, electronics workers, mechanics, printers, and textile workers.
LogP
log Kow = 4.30
Vapor Pressure
4.8X10-11 mm Hg at 25 °C /Estimated
Henry's Law Constant
2.3X10-14 atm-cu m/mol @ 25 °C /Estimated/
Dissociation Constants
8.65

Safety Information

Precautionary Statement
P305+P351+P338
Signal Word
Warning

Computed Properties

XLogP3
3.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Exact Mass
375.1401348 g/mol
Monoisotopic Mass
375.1401348 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
451
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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CN-114094952-A Low-temperature-drift linear Hall amplifying circuit and temperature compensation method thereof 2021-11-26
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CN-114099427-A Methods and compositions for treating psychiatric disorders 2021-11-21
CN-114181284-A Application of nano short peptide DRF3 in medicines, NK cell carriers and biomedicine 2021-11-17
CN-114022215-A Method for measuring quality and effect of product evaluation video 2021-11-12

Literatures

PMID Publication Date Title Journal
33814510 2021-01-01 Association of CYP1A1 and CYP1B1 inhibition in in vitro assays with drug-induced liver injury The Journal of toxicological sciences
34122009 2021-01-01 Cannabidiol Displays Proteomic Similarities to Antipsychotics in Cuprizone-Exposed Human Oligodendrocytic Cell Line MO3.13 Frontiers in molecular neuroscience
33237785 2020-12-10 EST64454: a Highly Soluble σ1 Receptor Antagonist Clinical Candidate for Pain Management Journal of medicinal chemistry
32808185 2020-12-01 Effect of common medications on the expression of SARS-CoV-2 entry receptors in liver tissue Archives of toxicology
32353859 2020-07-01 A SARS-CoV-2 protein interaction map reveals targets for drug repurposing Nature
32360362 2020-07-01 Altered dopamine D3 receptor gene expression in MAM model of schizophrenia is reversed by peripubertal cannabidiol treatment Biochemical pharmacology
31696510 2020-04-01 Neuroanatomical correlates of the inhibition of tremulous jaw movements in rats by a combination of memantine and Δ9 -tetrahydrocannabinol British journal of pharmacology
30496751 2019-03-01 Peripubertal cannabidiol treatment rescues behavioral and neurochemical abnormalities in the MAM model of schizophrenia Neuropharmacology
30217539 2018-11-01 Cannabidiol prevents haloperidol-induced vacuos chewing movements and inflammatory changes in mice via PPARγ receptors Brain, behavior, and immunity
29478803 2018-05-01 Design and synthesis of 1-(1-benzothiophen-7-yl)-1H-pyrazole, a novel series of G protein-coupled receptor 52 (GPR52) agonists Bioorganic & medicinal chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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