Diphemanil
Basic information
- CAS
15394-62-4- Standard SMILES
C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1- InChIKey
LCTZPQRFOZKZNK-UHFFFAOYSA-N- Molecular formula
- C20H24N+
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.19087477
Overview
4-(diphenylmethylene)-1,1-dimethylpiperidin-1-ium is a diarylmethane.
Names & identifiers
- Preferred name
- Diphemanil
- IUPAC
- 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium
Names & synonyms
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
Show more names
DTXCID5026968MLS002154192CAS-62-97-5NCGC00016283-01SMR001233482SPBio_002218Prestwick0_000079Prestwick1_000079
Database identifiers
- CAS
15394-62-4- PubChem CID
- 6127
- DTXSID
DTXSID7046968- ChEMBL
CHEMBL1201340- ChEBI
CHEBI:93636- UNII
- Q26TX1UD0W
- Nikkaji
- J384.059J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 335
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Chemistry & industry
Pharmacology
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%.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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