dicyclomine   

GtoPdb Ligand ID: 355

Synonyms: Bentyl® | Byclomine®
dicyclomine is an approved drug (FDA (1950))
Compound class: Synthetic organic
Comment: Dicyclomine is a non-selective muscarinic acetylcholine receptor antagonist.
2D Structure
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Physico-chemical Properties
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
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
Compound class Synthetic organic
Approved drug? Yes (FDA (1950))
IUPAC Name
2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate
International Nonproprietary Names
INN number INN
619 dicycloverine
Synonyms
Bentyl® | Byclomine®
Database Links
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
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Wikipedia Dicycloverine