CHEBI:4514 - dicyclomine

ChEBI IDCHEBI:4514
ChEBI Namedicyclomine
Stars
DefinitionThe 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.
Secondary ChEBI IDCHEBI:265774
Last Modified22 February 2017
DownloadsMolfile
FormulaC19H35NO2
Net Charge0
Average Mass309.494
Monoisotopic Mass309.26678
SMILESCCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1
InChIInChI=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
InChIKeyCURUTKGFNZGFSE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
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.
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
dicyclomine hydrochloride (CHEBI:4515) has part dicyclomine (CHEBI:4514)
IUPAC Name 
2-(diethylamino)ethyl 1,1'-bi(cyclohexyl)-1-carboxylate
INNs  Source
dicicloverinaChemIDplus
dicycloverinumChemIDplus
dicycloverineChEBI
dicycloverineChEBI
Synonyms  Source
DicyclomineKEGG COMPOUND
Bicyclohexyl-1-carboxylic acid 2-diethylamino-ethyl esterChEMBL
2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarboxylateChEMBL
DICYCLOMINEChEMBL
DicycloverinKEGG COMPOUND
Manual XrefsDatabases
C06951KEGG COMPOUND
DB00804DrugBank
D07820KEGG DRUG
US2474796Patent
DicyclomineWikipedia
LSM-3534LINCS
868DrugCentral
Registry NumbersSources
Beilstein:2282819Beilstein
CAS:77-19-0KEGG COMPOUND
CAS:77-19-0ChemIDplus