기본 정보
- CAS
60-49-1- 표준 SMILES
CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1- InChIKey
NPRHVSBSZMAEIN-UHFFFAOYSA-N- 분자식
- C21H36NO+
- 평균 분자량
- 318.5 g/mol
- 단동위원소 질량
- 318.27968977
개요
Tridihexethyl is a tertiary alcohol and a quaternary ammonium ion. It has a role as a muscarinic antagonist, an anti-ulcer drug and an antispasmodic drug.
이름 및 식별자
- 우선 이름
- Tridihexethyl
- IUPAC
- (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium
- 현지명
- 트리디헥에틸
- 영어명
- tridihexethyl
- 분자식
- C21H36NO
- 분자량
- 0
이름 및 동의어
TridihexethylPropethonum60-49-1Tridihexethyl ionTridihexethyl cation7HE50A367XCHEBI:9701DTXSID0048553(3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethylazaniumBenzenepropanaminium, gamma-cyclohexyl-N,N,N-triethyl-gamma-hydroxy-chloride of tridihexethylRefChem:899427
이름 더 보기
트리디헥에틸γ-Cyclohexyl-N,N,N-triethyl-γ-hydroxybenzene-1-propanaminiumN,N,N-Triethyl-3-cyclohexyl-3-hydroxy-3-phenylpropylammonium
DTXCID6028109(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminiumUNII-7HE50A367XPrestwick0_001042Prestwick1_001042Prestwick2_001042Prestwick3_001042
데이터베이스 식별자
- CAS
60-49-1- PubChem CID
- 20299
- DTXSID
DTXSID0048553- ChEMBL
CHEMBL1201354- ChEBI
CHEBI:9701
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 23
- 형식 전하
- 1
- 복잡도
- 318
실험 및 물리화학적 성질
LogP1.17
Solubility1.68e-05 g/L
Melting Point181.5 °C
Physical DescriptionSolid
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Pharmacodynamics
Tridihexethyl is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract. Tridihexethyl is an antimuscarinic, anticholinergic drug.
Mechanism of Action
Tridihexethyl binds the muscarinic acetylcholine receptor. It may block all three types of muscarinic receptors including M-1 receptors in the CNS and ganglia, M-2 receptors in the heart (vagus) and M-3 receptors at the parasympathetic NEJ system. The muscarinic acetylcholine receptors mediate various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the action of G proteins. Tridihexethyl inhibits vagally mediated reflexes by antagonizing the action of acetylcholine. This in turn reduces the secretion of gastric acids in the stomach.
Cellular LocationsMembrane
공급사1 곳
北京华美互利生物化工010-56205725 · [email protected]
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