Zephirol Related Compound 5
Product Information
Molecular Formula
C19H42BrN
Molecular Weight
364.45
Description
Cetrimonium Bromide is a known component of the broad-spectrum antiseptic cetrimide, which is a mixture of different quaternary ammonium salts.
Synonyms
CTAB; Cetrimonium bromide; NSC 32927; NSC-32927; NSC32927
IUPAC Name
hexadecyl(trimethyl)azanium;bromide
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI
InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChI Key
LZZYPRNAOMGNLH-UHFFFAOYSA-M
Melting Point
238-241 °C (dec.)
Flash Point
244°C
Purity
>98%
Solubility
Freely soluble in Chloroform, Ethanol (95%), Water; Practically insoluble in Ether
Appearance
White Solid
Application
Anti-Infective Agents, Local
Storage
RT
Stability
Stable. Incompatible with strong oxidizing agents. Protect from moisture.
Related CAS
6899-10-1 (free base)
Safety Information
Hazards
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H341:
Suspected of causing genetic defects.
H361:
Suspected of damaging fertility or the unborn child.
H370:
Causes damage to organs.
H410:
Very toxic to aquatic life with long-lasting effects.
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H341:
Suspected of causing genetic defects.
H361:
Suspected of damaging fertility or the unborn child.
H370:
Causes damage to organs.
H410:
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P201:
Obtain special instructions before use.
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P308+P311:
If exposed or concerned:
Call a POISON CENTER or doctor/physician.
P391:
Collect spillage.
Obtain special instructions before use.
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P308+P311:
If exposed or concerned:
Call a POISON CENTER or doctor/physician.
P391:
Collect spillage.
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
15
Exact Mass
363.25006 g/mol
Monoisotopic Mass
363.25006 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
181
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 |
|---|---|---|
| US-11020349-B1 | Transmucosal dosage forms of remdesivir | 2020-07-14 |
| US-10786597-B1 | Methods of producing an osteoinductive calcium phosphate material for bone grafting | 2020-03-24 |
| US-11047007-B1 | Polynucleotides for amplification and detection of SARS-CoV-2 | 2020-03-23 |
| US-10980756-B1 | Methods of treatment | 2020-03-16 |
| US-10874687-B1 | Highly active compounds against COVID-19 | 2020-02-27 |
| US-10869845-B1 | Ephedrine compositions and methods | 2020-01-22 |
| US-10974225-B1 | Metal oxide coated ceramic corrugated plate catalyst, preparation and application in preparation of key intermediates of citral | 2020-01-17 |
| US-10745281-B1 | Composition for multi-component composite intercalation, method of preparing a low-temperature expandable graphite system and method of profile control and water shutoff in deep oil reservoir | 2020-01-14 |
| US-2021047256-A1 | Method for degrading perfluorinated compounds | 2020-01-14 |
| WO-2020081850-A9 | Bandage\e-tattoo combination | 2019-12-30 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 23792315 | 2013-08-01 | Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride | European journal of medicinal chemistry |
| 23571415 | 2013-06-01 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
| 23062962 | 2013-01-01 | Selective nanodecoration of modified cyclodextrin crystals with gold nanorods | Journal of colloid and interface science |
| 23022612 | 2012-12-01 | Optical detection of NADH based on biocatalytic growth of Au-Ag core-shell nanoparticles | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 23079128 | 2012-12-01 | Control filamentous bulking caused by chlorine-resistant Type 021N bacteria through adding a biocide CTAB | Water research |
| 23109107 | 2012-12-01 | How to control the recombinant prion protein adhesion for successful storage through modification of surface properties | Biointerphases |
| 22977883 | 2012-11-07 | Gold nanorods as surface enhanced Raman spectroscopy substrates for sensitive and selective detection of ultra-low levels of dithiocarbamate pesticides | The Analyst |
| 23003680 | 2012-11-05 | Interactions of microbicide nanoparticles with a simulated vaginal fluid | Molecular pharmaceutics |
| 22552877 | 2012-11-01 | An improved CTAB-ammonium acetate method for total RNA isolation from cotton | Phytochemical analysis : PCA |
| 23065669 | 2012-11-01 | Post separation adjustment of pH to enable the analysis of aminoglycoside antibiotics by microchip electrophoresis with amperometric detection | Electrophoresis |
