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
SMILES / InChI / InChIKey
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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
InChI Key VVWYOYDLCMFIEM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1953))
IUPAC Name Click here for help
methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium
International Nonproprietary Names Click here for help
INN number INN
226 propantheline bromide
Synonyms Click here for help
Pro-Banthine®
Database Links Click here for help
CAS Registry No. 298-50-0
ChEMBL Ligand CHEMBL1180725
DrugBank Ligand DB00782
DrugCentral Ligand 2293
GtoPdb PubChem SID 135650857
PubChem CID 4934
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Wikipedia Propantheline_bromide