Zephirol Related Compound 2

Product Information

Molecular Formula:
C25H46N.Cl
Molecular Weight:
395.33
Description
One of the impurities of Zephirol, a quaternary ammonium compound, has been found to be effective in the treatment of herpes, hepatitis and other infections.
Synonyms
N-Hexadecyl-N,N-dimethylbenzenemethanaminium Chloride; Benzylhexadecyldimethylammonium Chloride; Acetoquate CDAC; Acinol; Banicol
IUPAC Name
benzyl-hexadecyl-dimethylazanium;chloride
Canonical SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI
InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H31H/q+1/p-1
InChI Key
SXPWTBGAZSPLHA-UHFFFAOYSA-M
Melting Point
54-56 °C
Purity
>97.0%(HPLC)
Appearance
Off-White to Pale Yellow Solid
Application
A quaternary surfactant used as a germicide/fungicide in leather processing, textile dyeing, and silicone-based water repellents.
Storage
2-8°C

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
17
Exact Mass
395.3318782 g/mol
Monoisotopic Mass
395.3318782 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
291
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
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114027299-A Atomizing and refreshing bactericide for internal circulation space of air conditioner and preparation method of bactericide 2021-12-09
CN-114083865-A Polyester film for five-layer dry film resist and preparation method thereof 2021-12-04
CN-113981570-A Method for recovering white oil in production process of ultra-high molecular weight polyethylene fiber 2021-11-12
CN-114106811-A Two-dimensional nano material reinforced clean fracturing fluid and preparation method and application thereof 2021-11-10
CN-113981221-A Zirconium-hafnium separation extracting agent, application thereof and zirconium-hafnium separation method 2021-10-28
CN-114149874-A Aerosol detergent based on ionic liquid and preparation method thereof 2021-10-19
CN-114097785-A Polysaccharide-based photothermal sterilization material and application thereof in seed protection and grain storage 2021-10-18
DE-102021124147-A1 Synthetic resin material and method for producing a milling blank for medical-technical molded parts 2021-09-17
CN-113984912-A Method for detecting benzalkonium chloride in disinfection product 2021-09-02
CN-113813287-A Preparation method of compound medicinal liquid for treating verruca vulgaris 2021-08-27

Literatures

PMID Publication Date Title Journal
28551711 2017-12-01 Why are most phospholipidosis inducers also hERG blockers? Archives of toxicology
24001405 2014-04-01 Benefits of cetalkonium chloride cationic oil-in-water nanoemulsions for topical ophthalmic drug delivery The Journal of pharmacy and pharmacology
22539315 2012-04-01 Cationic detergents enable the separation of membrane proteins of Plasmodium falciparum-infected erythrocytes by 2D gel electrophoresis Electrophoresis
21594238 2011-06-28 A nano-confined charged layer defies the principle of electrostatic interaction Chemical communications (Cambridge, England)
21111625 2011-01-01 Synthesis and antibacterial activity study of a novel class of cationic anthraquinone analogs Bioorganic & medicinal chemistry
19153686 2009-01-01 16-BAC/SDS-PAGE analysis of membrane proteins of yeast mitochondria purified by free flow electrophoresis Methods in molecular biology (Clifton, N.J.)
19153699 2009-01-01 Two-dimensional separation of membrane proteins by 16-BAC-SDS-PAGE Methods in molecular biology (Clifton, N.J.)
18975855 2008-11-01 Effects of preparation and experimental conditions on removal of phenol by surfactant-modified zeolites Environmental technology
18347566 2008-01-31 Reduction of quaternary ammonium-induced ocular surface toxicity by emulsions: an in vivo study in rabbits Molecular vision
17221235 2007-10-01 Evaluation of two proteomics technologies used to screen the membrane proteomes of wild-type Corynebacterium glutamicum and an L-lysine-producing strain Analytical and bioanalytical 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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