Basic information
- CAS
60-49-1- Standard SMILES
CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1- InChIKey
NPRHVSBSZMAEIN-UHFFFAOYSA-N- Molecular formula
- C21H36NO+
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.27968977
Overview
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.
Names & identifiers
- Preferred name
- Tridihexethyl
- IUPAC
- (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium
- English name
- tridihexethyl
- Molecular formula
- C21H36NO
- Molecular weight
- 0
Names & synonyms
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
Show more names
γ-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
Database identifiers
- CAS
60-49-1- PubChem CID
- 20299
- DTXSID
DTXSID0048553- ChEMBL
CHEMBL1201354- ChEBI
CHEBI:9701- UNII
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 318
Experimental & physicochemical properties
LogP1.17
Solubility1.68e-05 g/L
Melting Point181.5 °C
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 7 HE50A367X · 7HE50A367X
Chemistry & industry
Pharmacology
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
Suppliers1 total
北京华美互利生物化工010-56205725 · [email protected]
Additional notes
DefinitionChEBI: Tridihexethyl is a tertiary alcohol and a quaternary ammonium ion. It has a role as an anti-ulcer drug, a muscarinic antagonist and an antispasmodic drug.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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