Penequinine, Penehyclidine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Penequinine, Penehyclidine
- DrugBank Accession Number
- DB16287
- Background
Penequinine, Penehyclidine is under investigation in clinical trial NCT02644876 (Preventive Effects of Penehyclidine Hydrochloride Inhalation on Postoperative Pulmonary Complications).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 315.457
Monoisotopic: 315.219829178 - Chemical Formula
- C20H29NO2
- Synonyms
- Penehyclidine
- Penequine
- Penequinine
- Penethequinine
- External IDs
- M-8218
- P8018
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 353CX8CSHD
- CAS number
- 87827-02-9
- InChI Key
- GTKRIWMDLNOSLI-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H29NO2/c22-20(18-8-4-5-9-18,17-6-2-1-3-7-17)15-23-19-14-21-12-10-16(19)11-13-21/h1-3,6-7,16,18-19,22H,4-5,8-15H2
- IUPAC Name
- 2-{1-azabicyclo[2.2.2]octan-3-yloxy}-1-cyclopentyl-1-phenylethan-1-ol
- SMILES
- OC(COC1CN2CCC1CC2)(C1CCCC1)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 121036
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Prevention Long Term Outcomes / Postoperative Complications 1 4 Completed Prevention Post Operative Nausea and Vomiting (PONV) 1 4 Completed Prevention Postoperative Complications 1 Not Available Completed Not Available Bimaxillar Surgery / Penehyclidine / Post Operative Nausea and Vomiting (PONV) 1 Not Available Completed Prevention Bimaxillar Surgery / Penehyclidine / Post Operative Nausea and Vomiting (PONV) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.046 mg/mL ALOGPS logP 3.36 ALOGPS logP 3.19 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 13.13 Chemaxon pKa (Strongest Basic) 8.38 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 32.7 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 92.59 m3·mol-1 Chemaxon Polarizability 36.24 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014j-0389000000-d6fbc41918699410e6f9 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0129000000-2bd9bef3b470c0b2526e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-02ta-0976000000-c82a959aac0ddd03c01a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01t9-0903000000-b2154a76d2568c6fd0c7 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0900000000-7eee4914a98dc0457ed2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-056r-0900000000-50984ce2fb002ec7af6b Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:17 / Updated at December 20, 2020 03:40