bethanechol

Ligand id: 297

Name: bethanechol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 52.32
Molecular weight 161.13
XLogP -0.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (no history prior to 1948))
IUPAC Name
2-carbamoyloxypropyl-trimethylazanium
Synonyms
Duvoid® | Urecholine®
Database Links
CAS Registry No. 674-38-4 (source: Scifinder)
ChEBI CHEBI:506520
ChEMBL Ligand CHEMBL1482
DrugBank Ligand DB01019
PubChem CID 2370
Search Google for chemical match using the InChIKey NZUPCNDJBJXXRF-UHFFFAOYSA-O
Search Google for chemicals with the same backbone NZUPCNDJBJXXRF
Search UniChem for chemical match using the InChIKey NZUPCNDJBJXXRF-UHFFFAOYSA-O
Search UniChem for chemicals with the same backbone NZUPCNDJBJXXRF
Wikipedia Bethanechol
Comments
Bethanechol is structurally and pharmacologically related to acetylcholine.
Marketed formulations may contain bethanechol chloride (PubChem CID 11548).