Obidoxime

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

Identification

Name
Obidoxime
Accession Number
DB13750
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
N6KNE1QA9O
CAS number
7683-36-5
Weight
Average: 288.3018
Monoisotopic: 288.122240398
Chemical Formula
C14H16N4O3
InChI Key
HIGRLDNHDGYWQJ-UHFFFAOYSA-P
InChI
InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2
IUPAC Name
4-[(E)-(hydroxyimino)methyl]-1-[({4-[(E)-(hydroxyimino)methyl]pyridin-1-ium-1-yl}methoxy)methyl]pyridin-1-ium
SMILES
O\N=C\C1=CC=[N+](COC[N+]2=CC=C(\C=N\O)C=C2)C=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
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

References

General References
Not Available
External Links
ChemSpider
4588647
BindingDB
50005579
RxNav
42826
ChEMBL
CHEMBL451635
ZINC
ZINC000011681703
PDBe Ligand
OBI
Wikipedia
Obidoxime
ATC Codes
V03AB13 — Obidoxime
PDB Entries
2gyw

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.00106 mg/mLALOGPS
logP-2.7ALOGPS
logP-6.9ChemAxon
logS-5.5ALOGPS
pKa (Strongest Acidic)7.51ChemAxon
pKa (Strongest Basic)1.05ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area82.17 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity79.62 m3·mol-1ChemAxon
Polarizability30.47 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
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/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 dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Hydropyridines
Direct Parent
Dihydropyridines
Alternative Parents
Organic oxoazanium compounds / Azacyclic compounds / Aminoxides / Organopnictogen compounds / Organooxygen compounds / Organic oxides / Hydrocarbon derivatives / Organic cations
Substituents
Dihydropyridine / Azacycle / Aminoxide / Organic oxoazanium / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Organic oxide / Hydrocarbon derivative / Organooxygen compound
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:47 / Updated on March 01, 2020 21:39

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