propantheline   Click here for help

GtoPdb Ligand ID: 329

Synonyms: Pro-Banthine®
Approved drug
propantheline is an approved drug (FDA (1953))
Compound class: Synthetic organic
Comment: Propantheline is a non-selective muscarinic acetylcholine receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 35.53
Molecular weight 368.22
XLogP 4.32
No. Lipinski's rules broken 0
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Canonical SMILES O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C
Isomeric SMILES O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C
InChI InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1953))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
226 propantheline bromide
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand propantheline
Other databases
CAS Registry No. 298-50-0
ChEMBL Ligand CHEMBL1180725
DrugBank Ligand DB00782
DrugCentral Ligand 2293
GtoPdb PubChem SID 135650857
PubChem CID 4934
Search Google for chemical match using the InChIKey VVWYOYDLCMFIEM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VVWYOYDLCMFIEM
Search PubMed clinical trials propantheline bromide
Search PubMed titles propantheline bromide
Search PubMed titles/abstracts propantheline bromide
UniChem Compound Search for chemical match using the InChIKey VVWYOYDLCMFIEM-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VVWYOYDLCMFIEM-UHFFFAOYSA-N
Wikipedia Propantheline_bromide