NAV

Paraoxon

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

Identification

Generic Name
Paraoxon
DrugBank Accession Number
DB13495
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 275.195
Monoisotopic: 275.055873697
Chemical Formula
C10H14NO6P
Synonyms
Not Available
External IDs
  • E-600
  • E600
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Pharmacology

Indication

Not Available

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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.
DrugInteraction
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AcebutololParaoxon may increase the bradycardic activities of Acebutolol.
AcetylcholineThe risk or severity of adverse effects can be increased when Paraoxon is combined with Acetylcholine.
AclidiniumParaoxon may increase the neuromuscular blocking activities of Aclidinium.
AmantadineThe therapeutic efficacy of Amantadine can be decreased when used in combination with Paraoxon.
AmifampridineThe risk or severity of adverse effects can be increased when Paraoxon is combined with Amifampridine.
Food Interactions
Not Available

Categories

ATC Codes
S01EB10 — Paraoxon
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Nitrobenzenes
Direct Parent
Nitrobenzenes
Alternative Parents
Phenoxy compounds / Nitroaromatic compounds / Dialkyl phosphates / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Alkyl phosphate / Allyl-type 1,3-dipolar organic compound / Aromatic homomonocyclic compound / C-nitro compound / Dialkyl phosphate / Hydrocarbon derivative / Nitroaromatic compound / Nitrobenzene / Organic 1,3-dipolar compound / Organic nitro compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
organophosphate insecticide, aryl dialkyl phosphate (CHEBI:27827) / a small molecule (PARAOXON)
Affected organisms
Not Available

Chemical Identifiers

UNII
Q9CX8P80JW
CAS number
311-45-5
InChI Key
WYMSBXTXOHUIGT-UHFFFAOYSA-N
InChI
InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
IUPAC Name
diethyl 4-nitrophenyl phosphate
SMILES
CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O

References

General References
Not Available
Human Metabolome Database
HMDB0013035
KEGG Compound
C06606
ChemSpider
9026
BindingDB
50240416
ChEBI
27827
ChEMBL
CHEMBL23838
ZINC
ZINC000001530487
Wikipedia
Paraoxon

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 Solubility1.44 mg/mLALOGPS
logP2.05ALOGPS
logP2.43Chemaxon
logS-2.3ALOGPS
pKa (Strongest Basic)-9.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area87.9 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity63.69 m3·mol-1Chemaxon
Polarizability25.02 Å3Chemaxon
Number of Rings1Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-01ot-1490000000-49af8e137482487310cb
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0a4m-4910000000-9e80686be84777f12897
Mass Spectrum (Electron Ionization)MSsplash10-054k-9840000000-ed91d6d60187378e30e6
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]-170.7506032
predicted
DarkChem Lite v0.1.0
[M-H]-172.3701032
predicted
DarkChem Lite v0.1.0
[M-H]-172.8807032
predicted
DarkChem Lite v0.1.0
[M-H]-149.61876
predicted
DeepCCS 1.0 (2019)
[M+H]+171.3935032
predicted
DarkChem Lite v0.1.0
[M+H]+172.7191032
predicted
DarkChem Lite v0.1.0
[M+H]+173.1986032
predicted
DarkChem Lite v0.1.0
[M+H]+152.8788
predicted
DeepCCS 1.0 (2019)
[M+Na]+171.1801032
predicted
DarkChem Lite v0.1.0
[M+Na]+174.3651032
predicted
DarkChem Lite v0.1.0
[M+Na]+173.3573032
predicted
DarkChem Lite v0.1.0
[M+Na]+161.08272
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:43 / Updated at June 12, 2020 16:53