CAS 347841-42-3|N,N,N-Trimethyl(2H33)hexadecan-1-aminium bromide

Introduction:Basic information about CAS 347841-42-3|N,N,N-Trimethyl(2H33)hexadecan-1-aminium bromide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameN,N,N-Trimethyl(2H33)hexadecan-1-aminium bromide
CAS Number347841-42-3Molecular Weight397.651
Density/Boiling Point/
Molecular FormulaC19H9BrD33NMelting Point/
MSDS/Flash Point/

Names

Namehexadecyl-d33 trimethylammonium bromide
SynonymMore Synonyms

BiologicalActivity

DescriptionCetrimonium-d33 (bromide) is the deuterium labeled Cetrimonium bromide[1]. Cetrimonium bromide (CTAB) is an amine based cationic quaternary surfactant, is one of the components of the topical antiseptic Cetrimide.
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
In VitroStable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

Chemical & Physical Properties

Molecular FormulaC19H9BrD33N
Molecular Weight397.651
Exact Mass396.457184
LogP3.17790
InChIKeyLZZYPRNAOMGNLH-SPUUSHFZSA-M
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]

Synonyms

N,N,N-Trimethyl(H)hexadecan-1-aminium bromide
1-Hexadecan-d-aminium, N,N,N-trimethyl-, bromide (1:1)
N,N,N-Trimethyl-1-(H)hexadecanaminium bromide
n-Hexadecyl-d33-triMethylaMMoniuM BroMide
CAS 558-20-3|tetradeuteriomethane
CAS 136259-20-6|P32/98
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