pilocarpine   Click here for help

GtoPdb Ligand ID: 305

Synonyms: pilocarpine hydrochloride | pilocarpine nitrate | pilokarpin | Salagen® | Vuity® (pilocarpine HCI ophthalmic solution)
Approved drug PDB Ligand
pilocarpine is an approved drug (FDA (1974))
Compound class: Synthetic organic
Comment: Pilocarpine is a parasympathomimetic alkaloid type cholinergic drug, exerting its clinical effects via activation of muscarinic acetylcholine M3 receptors.
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: pilocarpine

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 3
Topological polar surface area 44.12
Molecular weight 208.12
XLogP 1.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCC1C(=O)OCC1Cc1cncn1C
Isomeric SMILES CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C
InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
InChI Key QCHFTSOMWOSFHM-WPRPVWTQSA-N
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel