NAV

Phanquinone

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

Identification

Generic Name
Phanquinone
DrugBank Accession Number
DB13469
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 210.192
Monoisotopic: 210.042927441
Chemical Formula
C12H6N2O2
Synonyms
  • fanquinona
  • Phanquinone
  • Phanquone
External IDs
  • C-11925
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
P01AX04 — Phanquinone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as o-quinones. These are quinones where the two C=O groups are attached at the 1- and 2-positions, respectively.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbonyl compounds
Direct Parent
O-quinones
Alternative Parents
Aryl ketones / Pyridines and derivatives / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Aromatic heteropolycyclic compound / Aryl ketone / Azacycle / Heteroaromatic compound / Hydrocarbon derivative / O-quinone / Organic nitrogen compound / Organic oxide / Organoheterocyclic compound / Organonitrogen compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
quinone (CHEBI:59141)
Affected organisms
Not Available

Chemical Identifiers

UNII
ID94IS6N8J
CAS number
84-12-8
InChI Key
VLPADTBFADIFKG-UHFFFAOYSA-N
InChI
InChI=1S/C12H6N2O2/c15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16/h1-6H
IUPAC Name
5,6-dihydro-4,7-phenanthroline-5,6-dione
SMILES
O=C1C(=O)C2=C(C=CC=N2)C2=C1N=CC=C2

References

General References
Not Available
ChemSpider
6506
ChEBI
59141
ChEMBL
CHEMBL531048
ZINC
ZINC000002041224
Wikipedia
Phanquinone

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 Solubility1.72 mg/mLALOGPS
logP1.03ALOGPS
logP1.26Chemaxon
logS-2.1ALOGPS
pKa (Strongest Basic)1.69Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area59.92 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity56.09 m3·mol-1Chemaxon
Polarizability20.11 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-03di-0090000000-3f51c8268aac16beaaae
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-5d9b86cf0cb25fafd1ec
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0190000000-1f7be630283467783646
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-5d9b86cf0cb25fafd1ec
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a7i-3900000000-d33055f8fec9262198de
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-4b113c00aa8c84193b88
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]-148.4201644
predicted
DarkChem Lite v0.1.0
[M-H]-147.58795
predicted
DeepCCS 1.0 (2019)
[M+H]+149.1271644
predicted
DarkChem Lite v0.1.0
[M+H]+149.9835
predicted
DeepCCS 1.0 (2019)
[M+Na]+149.1825644
predicted
DarkChem Lite v0.1.0
[M+Na]+155.89604
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:42 / Updated at February 21, 2021 18:54