Troxipide

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

Identification

Generic Name
Troxipide
DrugBank Accession Number
DB13419
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 294.351
Monoisotopic: 294.157957196
Chemical Formula
C15H22N2O4
Synonyms
  • Troxipide

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

Categories

ATC Codes
A02BX11 — Troxipide
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Anisoles
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds / Methoxybenzenes / Alkyl aryl ethers / Piperidines / Propargyl-type 1,3-dipolar organic compounds / Dialkylamines / Carboximidic acids / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Alkyl aryl ether / Amine / Anisole / Aromatic heteromonocyclic compound / Azacycle / Carboximidic acid / Carboximidic acid derivative / Ether / Hydrocarbon derivative / Methoxybenzene
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
W6QJX1Q00Z
CAS number
30751-05-4
InChI Key
YSIITVVESCNIPR-UHFFFAOYSA-N
InChI
InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)
IUPAC Name
3,4,5-trimethoxy-N-(piperidin-3-yl)benzamide
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)NC1CCCNC1

References

General References
Not Available
ChemSpider
5395
ChEBI
32271
ChEMBL
CHEMBL1566956
Wikipedia
Troxipide

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 Solubility0.356 mg/mLALOGPS
logP1.13ALOGPS
logP0.68Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)14.45Chemaxon
pKa (Strongest Basic)9.52Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area68.82 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity79.36 m3·mol-1Chemaxon
Polarizability32.09 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
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/MSsplash10-0002-0090000000-b521c54fbb6b74ea93a3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-b29d496d1092c1c01d55
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0190000000-6822862eacb833993667
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01oy-0390000000-3f76b8fdbf370c985a33
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03ej-3960000000-3760cfb26e238a327622
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6x-4890000000-75b0118e65ea1caaccd4
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]-166.75749
predicted
DeepCCS 1.0 (2019)
[M+H]+169.1155
predicted
DeepCCS 1.0 (2019)
[M+Na]+175.20863
predicted
DeepCCS 1.0 (2019)

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