CHEBI:9701 - tridihexethyl

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ChEBI Name tridihexethyl
ChEBI ID CHEBI:9701
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H36NO
Net Charge +1
Average Mass 318.51668
Monoisotopic Mass 318.27914
InChI InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1
InChIKey NPRHVSBSZMAEIN-UHFFFAOYSA-N
SMILES CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c1ccccc1
Roles Classification
Biological Role(s): muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Application(s): anti-ulcer drug
One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
muscarinic antagonist
A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
antispasmodic drug
A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
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ChEBI Ontology
Outgoing tridihexethyl (CHEBI:9701) has role anti-ulcer drug (CHEBI:49201)
tridihexethyl (CHEBI:9701) has role antispasmodic drug (CHEBI:53784)
tridihexethyl (CHEBI:9701) has role muscarinic antagonist (CHEBI:48876)
tridihexethyl (CHEBI:9701) is a quaternary ammonium ion (CHEBI:35267)
tridihexethyl (CHEBI:9701) is a tertiary alcohol (CHEBI:26878)
Incoming tridihexethyl bromide (CHEBI:9702) has part tridihexethyl (CHEBI:9701)
tridihexethyl chloride (CHEBI:9703) has part tridihexethyl (CHEBI:9701)
tridihexethyl iodide (CHEBI:9704) has part tridihexethyl (CHEBI:9701)
IUPAC Name
3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium
Synonyms Sources
Propethonum ChemIDplus
Tridihexethyl KEGG COMPOUND
Manual Xrefs Databases
2737 DrugCentral
C07861 KEGG COMPOUND
DB00505 DrugBank
LSM-4996 LINCS
Tridihexethyl Wikipedia
View more database links
Registry Numbers Types Sources
3911680 Beilstein Registry Number Beilstein
60-49-1 CAS Registry Number ChemIDplus
Last Modified
22 February 2017