기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1- InChIKey
QDYLMAYUEZBUFO-UHFFFAOYSA-N- 분자식
- C25H46N+
- 평균 분자량
- 360.6 g/mol
- 단동위원소 질량
- 360.36302547
이름 및 식별자
- 우선 이름
- Cetalkonium
- IUPAC
- benzyl-hexadecyl-dimethylazanium
- 현지명
- 세틸디메틸벤질암모늄
- 영어명
- cetyldimethylbenzylammonium
- 분자량
- 0
이름 및 동의어
Cetalkonium10328-34-4CetyldimethylbenzylammoniumCetalkonium ionCetalkonium cationbenzylhexadecyldimethylammoniumBenzyldimethylhexadecyl ammoniumFHG725432ZBenzenemethanaminium, N-hexadecyl-N,N-dimethyl-BENZENEMETHANAMINIUM, N-HEXADECYL, N,N-DIMETHYL-BENZYL(HEXADECYL)DIMETHYLAZANIUMRefChem:575292
이름 더 보기
세틸디메틸벤질암모늄Benzyldimethylhexadecylammonium cation
benzyl-hexadecyl-dimethylazaniumbenzyldimethylhexadecylammoniumBenzylcetyldimethylammoniumN-Benzyl-N,N-dimethylhexadecan-1-aminiumUNII-FHG725432ZCBnBrbenzyl-hexadecyl-dimethyl-ammoniumSCHEMBL233796
데이터베이스 식별자
- CAS
10328-34-4- PubChem CID
- 31203
- DTXSID
DTXSID3047007- ChEMBL
CHEMBL1624075- ChEBI
CHEBI:135523- UNII
- FHG725432Z
- Nikkaji
- J238.579A
물성
구조 계산 물성
- XLogP
- 9.5
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 26
- 형식 전하
- 1
- 복잡도
- 291
실험 및 물리화학적 성질
LogP2.5
Solubility8.5
Melting Point54-58 ºC
Collision Cross Section
208.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3041665]
214.8 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 71.5 · 71.5-72.5 °C
화학 및 산업
약리 정보
Protein BindingAs cetalkonium is not absorbed, this pharmacokinetic property is not relevant.
PharmacodynamicsCetalkonium is an antimicrobial agent and it has shown to be effective against both gram-positive, gram-negative bacteria and fungi. From this property, it has been shown to present a better activity against the gram-negative organisms.
Mechanism of Action
The activity of cetalkonium is based on the creation of a positive charge which permits a bio-adhesive property to negative surfaces. This property allows cetalkonium to disrupt the cell membrane, inactivate enzymes and denature proteins. This type of mechanism allows this type of agents to present a broad spectrum.
Biological Half-LifeAs cetalkonium is not absorbed, this pharmacokinetic property is not relevant.
Metabolism/MetabolitesAs cetalkonium is not absorbed, this pharmacokinetic property is not relevant.
Absorption, Distribution and Excretion
Cetalkonium is used mainly topically and it is not absorbed. When administered orally and parenterally, cetalkonium absorption may happen but it is very insignificant.
As cetalkonium is not absorbed, this pharmacokinetic property is not relevant. When administered orally, most of the administered dose is excreted unchanged in the feces as it is very poorly absorbed.
As cetalkonium is not absorbed, this pharmacokinetic property is not relevant.
As cetalkonium is not absorbed, this pharmacokinetic property is not relevant.
상·하류 제품 정보
상류 원료
공급사1 곳
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
관련 반응
3건
연결된 노트
불러오는 중…