oxyphenonium   Click here for help

GtoPdb Ligand ID: 7257

Synonyms: oxyphenonium bromide
Approved drug
oxyphenonium is an approved drug
Compound class: Synthetic organic
Comment: Oxyphenonium is a synthetic anticholinergic drug with gastrointestinal antispasmodic and antisecretory action.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 46.53
Molecular weight 348.25
XLogP 3.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C
Isomeric SMILES CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C
InChI InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1
InChI Key GFRUPHOKLBPHTQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
{2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}diethylmethylazanium
International Nonproprietary Names Click here for help
INN number INN
20 oxyphenonium bromide
Synonyms Click here for help
oxyphenonium bromide
Database Links Click here for help
CAS Registry No. 14214-84-7
ChEMBL Ligand CHEMBL1201286
DrugBank Ligand DB00219
DrugCentral Ligand 2039
GtoPdb PubChem SID 178103831
PubChem CID 5749
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