Troxipide
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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
- 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
- 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
- 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
- External Links
- ChemSpider
- 5395
- ChEBI
- 32271
- ChEMBL
- CHEMBL1566956
- Wikipedia
- Troxipide
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 0.356 mg/mL ALOGPS logP 1.13 ALOGPS logP 0.68 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 14.45 Chemaxon pKa (Strongest Basic) 9.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 68.82 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 79.36 m3·mol-1 Chemaxon Polarizability 32.09 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No 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 splash10-0002-0090000000-b521c54fbb6b74ea93a3 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-b29d496d1092c1c01d55 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0190000000-6822862eacb833993667 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01oy-0390000000-3f76b8fdbf370c985a33 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03ej-3960000000-3760cfb26e238a327622 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0f6x-4890000000-75b0118e65ea1caaccd4 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 166.75749 predictedDeepCCS 1.0 (2019) [M+H]+ 169.1155 predictedDeepCCS 1.0 (2019) [M+Na]+ 175.20863 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:41 / Updated at February 21, 2021 18:54