dicyclomine (CHEBI:4514)

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ChEBI Name	dicyclomine

ChEBI ID	CHEBI:4514

Definition	The ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:265774

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Formula

C19H35NO2

Net Charge

Average Mass

309.48670

Monoisotopic Mass

309.26678

InChI

InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3

InChIKey

CURUTKGFNZGFSE-UHFFFAOYSA-N

SMILES

CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

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. parasympatholytic Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists.

Application(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. 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. parasympatholytic Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists.

ChEBI Ontology
Outgoing	dicyclomine (CHEBI:4514) has functional parent 1,1'-bi(cyclohexyl)-1-carboxylic acid (CHEBI:59738) dicyclomine (CHEBI:4514) has functional parent 2-diethylaminoethanol (CHEBI:52153) dicyclomine (CHEBI:4514) has role antispasmodic drug (CHEBI:53784) dicyclomine (CHEBI:4514) has role muscarinic antagonist (CHEBI:48876) dicyclomine (CHEBI:4514) has role parasympatholytic (CHEBI:50370) dicyclomine (CHEBI:4514) is a carboxylic ester (CHEBI:33308) dicyclomine (CHEBI:4514) is a tertiary amine (CHEBI:32876)

Incoming	dicyclomine hydrochloride (CHEBI:4515) has part dicyclomine (CHEBI:4514)

IUPAC Name

2-(diethylamino)ethyl 1,1'-bi(cyclohexyl)-1-carboxylate

Synonyms	Sources
2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarboxylate	ChEMBL
Bicyclohexyl-1-carboxylic acid 2-diethylamino-ethyl ester	ChEMBL
DICYCLOMINE	ChEMBL
Dicyclomine	KEGG COMPOUND
Dicycloverin	KEGG COMPOUND

Last Modified

22 February 2017