基本情報
- CAS
15394-62-4- 標準SMILES
C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1- InChIKey
LCTZPQRFOZKZNK-UHFFFAOYSA-N- 分子式
- C20H24N+
- 平均分子量
- 278.4 g/mol
- 単同位体質量
- 278.19087477
概要
4-(diphenylmethylene)-1,1-dimethylpiperidin-1-ium is a diarylmethane.
名称と識別子
- 優先名称
- Diphemanil
- IUPAC
- 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium
名称と別名
DiphemanilDiphemanil ionDiphemanil cationDiphemanil [WHO-DD]15394-62-4UNII-Q26TX1UD0WQ26TX1UD0W4-(Diphenylmethylene)-1,1-dimethylpiperidiniumPiperidinium, 4-(diphenylmethylene)-1,1-dimethyl-DTXSID70469684-(diphenylmethylidene)-1,1-dimethylpiperidin-1-iumRefChem:134625
名称をさらに表示
DTXCID5026968MLS002154192CAS-62-97-5NCGC00016283-01SMR001233482SPBio_002218Prestwick0_000079Prestwick1_000079
データベース識別子
- CAS
15394-62-4- PubChem CID
- 6127
- DTXSID
DTXSID7046968- ChEMBL
CHEMBL1201340- ChEBI
CHEBI:93636- UNII
- Q26TX1UD0W
- Nikkaji
- J384.059J
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 2
- 重原子数
- 21
- 形式電荷
- 1
- 複雑度
- 335
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
化学と産業
薬理情報
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
PharmacodynamicsDiphemanil Methylsulfate is a quaternary ammonium anticholinergic. It binds muscarinic acetycholine receptors and thereby decreases secretory excretion of stomach acids as well as saliva and sweat.
Mechanism of Action
Diphemanil Methylsulfate exerts its action by primarily binding the muscarinic M3 receptor. M3 receptors are located in the smooth muscles of the blood vessels, as well as in the lungs. This means they cause vasodilation and bronchoconstriction. They are also in the smooth muscles of the gastrointestinal tract (GIT), which help in increasing intestinal motility and dilating sphincters. The M3 receptors are also located in many glands which help to stimulate secretion in salivary glands and other glands of the body.
Absorption, Distribution and ExcretionPoorly absorbed from the gastrointestinal tract with an absolute bioavailability of 15 to 25%.
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