Oxypertine

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
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

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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Oxypertine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Oxypertine.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Oxypertine.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Oxypertine.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Oxypertine.
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
ChemSpider
4479
RxNav
7815
ChEBI
31952
ChEMBL
CHEMBL2107011
ZINC
ZINC000000538144
Wikipedia
Oxypertine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.0349 mg/mLALOGPS
logP4.34ALOGPS
logP3.92Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)17.51Chemaxon
pKa (Strongest Basic)8.51Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area40.73 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity115.07 m3·mol-1Chemaxon
Polarizability44.74 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-8b3716450df09ff0d399
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0109000000-e91635c141122133a545
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0029000000-72c2b9c0a1b02fe775b7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0kdi-0049000000-aa84fe43425d7685d167
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0v4i-0291000000-511f33513dd36448c40e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05fr-0659000000-7b3008b7763082beaf97
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-214.8043934
predicted
DarkChem Lite v0.1.0
[M-H]-194.02657
predicted
DeepCCS 1.0 (2019)
[M+H]+215.7803934
predicted
DarkChem Lite v0.1.0
[M+H]+196.50957
predicted
DeepCCS 1.0 (2019)
[M+Na]+215.8667934
predicted
DarkChem Lite v0.1.0
[M+Na]+204.41565
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:41 / Updated at February 21, 2021 18:54