dicyclomine   Click here for help

GtoPdb Ligand ID: 355

Synonyms: Bentyl® | Byclomine®
Approved drug
dicyclomine is an approved drug (FDA (1950))
Compound class: Synthetic organic
Comment: Dicyclomine is a non-selective muscarinic acetylcholine receptor antagonist.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 29.54
Molecular weight 309.27
XLogP 5.5
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC
Isomeric SMILES CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC
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
InChI Key CURUTKGFNZGFSE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1950))
IUPAC Name Click here for help
2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate
International Nonproprietary Names Click here for help
INN number INN
619 dicycloverine
Synonyms Click here for help
Bentyl® | Byclomine®
Database Links Click here for help
Specialist databases
GPCRdb Ligand dicyclomine
Other databases
BindingDB Ligand 50010101
CAS Registry No. 77-19-0 (source: DrugBank)
ChEBI CHEBI:265774
ChEMBL Ligand CHEMBL1123
DrugBank Ligand DB00804
DrugCentral Ligand 868
GtoPdb PubChem SID 135650178
PubChem CID 3042
Search Google for chemical match using the InChIKey CURUTKGFNZGFSE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CURUTKGFNZGFSE
Search PubMed clinical trials dicycloverine
Search PubMed titles dicycloverine
Search PubMed titles/abstracts dicycloverine
UniChem Compound Search for chemical match using the InChIKey CURUTKGFNZGFSE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CURUTKGFNZGFSE-UHFFFAOYSA-N
Wikipedia Dicycloverine