Lavoltidine

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

Identification

Name
Lavoltidine
Accession Number
DB12884
Type
Small Molecule
Groups
Investigational
Description

Lavoltidine has been used in trials studying the diagnostic of Reflux, Gastroesophageal and Gastroesophageal Reflux Disease.

Structure
Thumb
Synonyms
  • lavoltidina
  • Loxtidina
External IDs
AH 23844 / AH-23844
Categories
UNII
X16K5179V5
CAS number
76956-02-0
Weight
Average: 359.474
Monoisotopic: 359.232125194
Chemical Formula
C19H29N5O2
InChI Key
VTLNPNNUIJHJQB-UHFFFAOYSA-N
InChI
InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)
IUPAC Name
{1-methyl-5-[(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)amino]-1H-1,2,4-triazol-3-yl}methanol
SMILES
CN1N=C(CO)N=C1NCCCOC1=CC=CC(CN2CCCCC2)=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
2,5-Dimethoxy-4-ethylamphetamine2,5-Dimethoxy-4-ethylamphetamine may decrease the sedative and stimulatory activities of Lavoltidine.
2,5-Dimethoxy-4-ethylthioamphetamine2,5-Dimethoxy-4-ethylthioamphetamine may decrease the sedative and stimulatory activities of Lavoltidine.
3,4-Methylenedioxyamphetamine3,4-Methylenedioxyamphetamine may decrease the sedative and stimulatory activities of Lavoltidine.
4-Bromo-2,5-dimethoxyamphetamine4-Bromo-2,5-dimethoxyamphetamine may decrease the sedative and stimulatory activities of Lavoltidine.
AmphetamineAmphetamine may decrease the sedative and stimulatory activities of Lavoltidine.
AmprenavirLavoltidine can cause a decrease in the absorption of Amprenavir resulting in a reduced serum concentration and potentially a decrease in efficacy.
AtazanavirLavoltidine can cause a decrease in the absorption of Atazanavir resulting in a reduced serum concentration and potentially a decrease in efficacy.
BenzphetamineBenzphetamine may decrease the sedative and stimulatory activities of Lavoltidine.
Benzylpenicilloyl PolylysineLavoltidine may decrease effectiveness of Benzylpenicilloyl Polylysine as a diagnostic agent.
BetahistineThe therapeutic efficacy of Betahistine can be decreased when used in combination with Lavoltidine.
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C11805
PubChem Compound
55473
PubChem Substance
347829039
ChemSpider
50093
ChEBI
6550
ChEMBL
CHEMBL2110857
Wikipedia
Lavoltidine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedDiagnosticGastro-esophageal Reflux Disease (GERD) / Reflux, Gastroesophageal1
2CompletedDiagnosticGastro-esophageal Reflux Disease (GERD) / Reflux, Gastroesophageal1

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 Solubility0.291 mg/mLALOGPS
logP2.94ALOGPS
logP2.03ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)13.45ChemAxon
pKa (Strongest Basic)8.74ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area75.44 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity116.23 m3·mol-1ChemAxon
Polarizability41.31 Å3ChemAxon
Number of Rings3ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Benzylpiperidines
Direct Parent
N-benzylpiperidines
Alternative Parents
Phenylmethylamines / Phenoxy compounds / Phenol ethers / Benzylamines / Secondary alkylarylamines / Aralkylamines / Alkyl aryl ethers / Triazoles / Heteroaromatic compounds / Trialkylamines
show 5 more
Substituents
N-benzylpiperidine / Benzylamine / Phenoxy compound / Phenol ether / Phenylmethylamine / Alkyl aryl ether / Secondary aliphatic/aromatic amine / Aralkylamine / Benzenoid / Monocyclic benzene moiety
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
piperidines, aromatic ether, primary alcohol, triazoles (CHEBI:6550)

Drug created on October 20, 2016 18:59 / Updated on November 02, 2018 07:31