oxyphencyclimine   Click here for help

GtoPdb Ligand ID: 7256

Approved drug
oxyphencyclimine is an approved drug
Compound class: Synthetic organic
Comment: Oxyphencyclimine is a synthetic anticholinergic drug with gastrointestinal antispasmodic and antisecretory action.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 62.13
Molecular weight 344.21
XLogP 3.79
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCCN=C1COC(=O)C(c1ccccc1)(C1CCCCC1)O
Isomeric SMILES CN1CCCN=C1COC(=O)C(c1ccccc1)(C1CCCCC1)O
InChI InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
International Nonproprietary Names Click here for help
INN number INN
839 oxyphencyclimine
Database Links Click here for help
CAS Registry No. 125-53-1
ChEMBL Ligand CHEMBL1495
DrugBank Ligand DB00383
DrugCentral Ligand 2026
GtoPdb PubChem SID 178103830
PubChem CID 4642
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UniChem Compound Search for chemical match using the InChIKey DUDKAZCAISNGQN-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DUDKAZCAISNGQN-UHFFFAOYSA-N
Wikipedia Oxyphencyclimine