Mepixanox

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Mepixanox
DrugBank Accession Number
DB13579
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 323.392
Monoisotopic: 323.15214354
Chemical Formula
C20H21NO3
Synonyms
  • Mepixanox

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
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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.
Not Available
Food Interactions
Not Available

Products

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Categories

ATC Codes
R07AB09 — Mepixanox
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzopyrans
Sub Class
1-benzopyrans
Direct Parent
Xanthones
Alternative Parents
Chromones / Anisoles / Pyranones and derivatives / Aralkylamines / Alkyl aryl ethers / Piperidines / Heteroaromatic compounds / Trialkylamines / Oxacyclic compounds / Azacyclic compounds
show 3 more
Substituents
Alkyl aryl ether / Amine / Anisole / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Chromone / Ether / Heteroaromatic compound
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7419T4YQQW
CAS number
17854-59-0
InChI Key
PYSOHOOUXFWCFF-UHFFFAOYSA-N
InChI
InChI=1S/C20H21NO3/c1-23-17-10-9-15-19(22)14-7-3-4-8-18(14)24-20(15)16(17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3
IUPAC Name
3-methoxy-4-[(piperidin-1-yl)methyl]-9H-xanthen-9-one
SMILES
COC1=CC=C2C(=O)C3=CC=CC=C3OC2=C1CN1CCCCC1

References

General References
Not Available
ChemSpider
59116
ChEBI
135373
ChEMBL
CHEMBL2104462
ZINC
ZINC000004216861
Wikipedia
Mepixanox

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Solution / dropsOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0796 mg/mLALOGPS
logP3.64ALOGPS
logP3.59Chemaxon
logS-3.6ALOGPS
pKa (Strongest Basic)7.25Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area38.77 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity93.96 m3·mol-1Chemaxon
Polarizability35.62 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-00dj-7009000000-efbfbff4fa7a0d544318
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0109000000-1c47c6d2d1e69cba4de8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0029000000-07c174c954bfe9070e97
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-3009000000-b4e28a8e73219c4642a2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-006t-7392000000-2ef5a30ed0a2a107e5bb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05ne-3190000000-4536018b97dfa862c861
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]-172.39265
predicted
DeepCCS 1.0 (2019)
[M+H]+174.75082
predicted
DeepCCS 1.0 (2019)
[M+Na]+181.08372
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54