NAV

Prenoxdiazine

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

Identification

Generic Name
Prenoxdiazine
DrugBank Accession Number
DB13397
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 361.489
Monoisotopic: 361.215412501
Chemical Formula
C23H27N3O
Synonyms
  • Prenoxdiazine
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used in combination to treatCoughingCombination Product in combination with: Carbocisteine (DB04339)••• •••••••••••••
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.
Not Available
Food Interactions
Not Available

Products

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Categories

ATC Codes
R05DB18 — Prenoxdiazine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Aralkylamines / Piperidines / Heteroaromatic compounds / 1,2,4-oxadiazoles / Trialkylamines / Oxacyclic compounds / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Hydrocarbon derivatives
Substituents
1,2,4-oxadiazole / Amine / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Azole / Diphenylmethane / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
S491HH391H
CAS number
47543-65-7
InChI Key
PXZDWASDNFWKSD-UHFFFAOYSA-N
InChI
InChI=1S/C23H27N3O/c1-4-10-19(11-5-1)21(20-12-6-2-7-13-20)18-22-24-23(27-25-22)14-17-26-15-8-3-9-16-26/h1-2,4-7,10-13,21H,3,8-9,14-18H2
IUPAC Name
1-{2-[3-(2,2-diphenylethyl)-1,2,4-oxadiazol-5-yl]ethyl}piperidine
SMILES
C(CC1=NC(CC(C2=CC=CC=C2)C2=CC=CC=C2)=NO1)N1CCCCC1

References

General References
  1. AIFA Product Information: Libexin Mucolitico (prenoxdiazine/carbocysteine) oral suspension [Link]
ChemSpider
107586
ChEBI
135527
ChEMBL
CHEMBL2105302
ZINC
ZINC000000538227
Wikipedia
Prenoxdiazine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentCough1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule
SuspensionOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.02 mg/mLALOGPS
logP4.65ALOGPS
logP5.08Chemaxon
logS-4.3ALOGPS
pKa (Strongest Basic)8.49Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area42.16 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity109.98 m3·mol-1Chemaxon
Polarizability41.4 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-03di-0009000000-d99da2311a05f878aff0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0109000000-4e7f5d745b13bec167f0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0109000000-f265b68143f827de6236
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-1429000000-39c92a56c7d4c38b3844
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dm-4922000000-8fc89b2ef7be2cec488f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxs-2920000000-bf982b96b2727c15cbaa
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]-199.1505308
predicted
DarkChem Lite v0.1.0
[M-H]-180.88081
predicted
DeepCCS 1.0 (2019)
[M+H]+199.9412308
predicted
DarkChem Lite v0.1.0
[M+H]+183.23882
predicted
DeepCCS 1.0 (2019)
[M+Na]+199.4712308
predicted
DarkChem Lite v0.1.0
[M+Na]+190.38237
predicted
DeepCCS 1.0 (2019)

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