This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Oxypertine
- DrugBank Accession Number
- DB13403
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Oxypertine (DB13403)
- Weight
- Average: 379.504
Monoisotopic: 379.225977186 - Chemical Formula
- C23H29N3O2
- Synonyms
- Oxypertine
- External IDs
- WIN 18,501-2
- WIN-18501-2
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Oxypertine. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Oxypertine. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Oxypertine. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Oxypertine. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with Oxypertine. Alimemazine The risk or severity of CNS depression can be increased when Alimemazine is combined with Oxypertine. Almotriptan The risk or severity of adverse effects can be increased when Almotriptan is combined with Oxypertine. Alosetron The risk or severity of CNS depression can be increased when Alosetron is combined with Oxypertine. Alprazolam The risk or severity of CNS depression can be increased when Alprazolam is combined with Oxypertine. Alverine The risk or severity of CNS depression can be increased when Alverine is combined with Oxypertine. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- ATC Codes
- N05AE01 — Oxypertine
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazinanes
- Sub Class
- Piperazines
- Direct Parent
- Phenylpiperazines
- Alternative Parents
- Tryptamines and derivatives / N-arylpiperazines / 3-alkylindoles / Dialkylarylamines / Anisoles / Aniline and substituted anilines / N-alkylpiperazines / Aralkylamines / Alkyl aryl ethers / Substituted pyrroles show 5 more
- Substituents
- 3-alkylindole / Alkyl aryl ether / Amine / Aniline or substituted anilines / Anisole / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Dialkylarylamine show 20 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 5JGL4G25R7
- CAS number
- 153-87-7
- InChI Key
- XCWPUUGSGHNIDZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
- IUPAC Name
- 5,6-dimethoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole
- SMILES
- COC1=C(OC)C=C2C(NC(C)=C2CCN2CCN(CC2)C2=CC=CC=C2)=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 4479
- 7815
- ChEBI
- 31952
- ChEMBL
- CHEMBL2107011
- ZINC
- ZINC000000538144
- Wikipedia
- Oxypertine
Clinical Trials
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 0.0349 mg/mL ALOGPS logP 4.34 ALOGPS logP 3.92 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 17.51 Chemaxon pKa (Strongest Basic) 8.51 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 40.73 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 115.07 m3·mol-1 Chemaxon Polarizability 44.74 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at June 23, 2017 20:41 / Updated at February 21, 2021 18:54