세틸피리디늄

Cetylpyridinium

HCID 2683CAS 123-03-5

기본 정보

표준 SMILES
CCCCCCCCCCCCCCCC[n+]1ccccc1
InChIKey
NEUSVAOJNUQRTM-UHFFFAOYSA-N
분자식
C21H38N+
평균 분자량
304.5 g/mol
단동위원소 질량
304.29987664

개요

Cetylpyridinium is a pyridinium ion.

이름 및 식별자

우선 이름
Cetylpyridinium
IUPAC
1-hexadecylpyridin-1-ium
현지명
세틸피리디늄
영어명
Cetylpyridinium
분자식
C21H38N
분자량
0

이름 및 동의어

CETYLPYRIDINIUM1-hexadecylpyridin-1-ium7773-52-61-hexadecylpyridiniumCetylpyridinumHexadecylpyridiniumN-HexadecylpyridiniumCUB7JI0JV3Pyridinium, 1-hexadecyl-CHEBI:32914CetylpyridiumRefChem:54759
이름 더 보기
세틸피리디늄
MLS0026959071-cetylpyridiniumSMR001398783UNII-CUB7JI0JV3BRN 1431415cethylpyridinium5-20-05-00233 (Beilstein Handbook Reference)1-Hexadecyl-pyridinium

데이터베이스 식별자

CAS
123-03-5、7773-52-6
PubChem CID
2683
DTXSID
DTXSID8047979
ChEMBL
CHEMBL305906
ChEBI
CHEBI:32914
UNII
CUB7JI0JV3
Nikkaji
J66.625D

물성

구조 계산 물성

XLogP
8.7
극성 표면적
3.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
15
무거운 원자 수
22

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals

Pharmaceuticals -> Listed in ZINC15

PesticidesBiocide
Collision Cross Section · 2건

193.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3033307]

195.66 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
79 · 79-82 °C

화학 및 산업

약리 정보

ATC Code · 6건

R - Respiratory system

D - Dermatologicals

D - Dermatologicals

B - Blood and blood forming organs

QR - Respiratory system

QD - Dermatologicals

Protein Binding · 1건

No readily available data regarding the protein binding of cetylpyridinium chloride is available and various products that actually contain cetylpyridinium chloride as an active ingredient suggest that no pharmacokinetic data are available for the agent.

Pharmacodynamics · 1건

Cetylpyridinium chloride is considered a cationic disinfectant with properties and uses similar to other such cationic surfactants. In particular, cetylpyridinium chloride has demonstrated a rapid bactericidal and fungicide effect on gram-positive pathogens and yeasts, respectively. Cetylpyridinium chloride is subsequently utilized in a variety of preparations for the local treatment of minor infections. Despite the variety of formulations in which cetylpyridinium chloride may appear as an active ingredient, it is generally accepted that it only elicits a local effect owing to the compound's relatively poor absorption by route of exposure.

Mechanism of Action · 1건

When incorporated into mouthwashes, toothpastes, lozenges, or mouth sprays, cetylpyridinium chloride is expected to elicit a mechanism of action that decreases new dental plaque growth, decreases or removes existing dental plaque, diminishes the growth of pathogenic bacteria, and inhibits the production of virulence factors. Cetylpyridinium chloride is a quaternary ammonium compound that demonstrates a broad spectrum anti-bacterial activity. It possesses a cationic surface active agent surfactant which can absorb readily to oral surfaces. The molecules of this agent have both hydrophilic and hydrophobic groups. In action, the positively charged hydrophilic region of cetylpyridinium chloride molecules enables the compound to interact with microbial cell surfaces and even integrate into the bacterial cytoplasmic membrane. Consequently, there is a resultant disruption of bacterial membrane integrity causing a leakage of bacterial cytoplasmic components, interference with cellular metabolism, inhibition of cell growth, and ultimately - cell death. Moreover, cetylpyridinium chloride can also inhibit the synthesis of insoluble glucan by streptococcal glucosyltransferase, adsorb to pellicle-covered enamel, and inhibit co-adhesion of bacteria, and bind streptococcus mutans biofilms. This ability of cetylpyridinium chloride to be able to adsorb to pellicle covered enamel imparts substantivity to the compound molecules - that is retention in the mouth and continued antimicrobial activity for a period of time after rinsing. Taking these mechanisms into consideration, cetylpyridinium chloride may be considered an active ingredient that is effective in the treatment and prevention of bacterial or fungal disorders of the oropharyngeal cavity.

Biological Half-Life · 1건

No readily available data regarding the half-life of cetylpyridinium chloride is available and various products that actually contain cetylpyridinium chloride as an active ingredient suggest that no pharmacokinetic data are available for the agent.

Metabolism/Metabolites · 1건

No readily available data regarding the metabolism of cetylpyridinium chloride is available and various products that actually contain cetylpyridinium chloride as an active ingredient suggest that no pharmacokinetic data are available for the agent.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >100

공급사1 곳

Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd(852)2541 2772

관련 반응

6건

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