CHEBI:9701 - tridihexethyl

ChEBI IDCHEBI:9701
ChEBI Nametridihexethyl
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Last Modified22 February 2017
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FormulaC21H36NO
Net Charge+1
Average Mass318.525
Monoisotopic Mass318.27914
SMILESCC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1
InChIInChI=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
InChIKeyNPRHVSBSZMAEIN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Applications:
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.
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
PropethonumChemIDplus
TridihexethylKEGG COMPOUND
Tridihexethyl cationChEMBL
Tridihexethyl ionChEMBL
Manual XrefsDatabases
2737DrugCentral
C07861KEGG COMPOUND
DB00505DrugBank
LSM-4996LINCS
TridihexethylWikipedia
Registry NumbersSources
Beilstein:3911680Beilstein
CAS:60-49-1ChemIDplus
Citations