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Guanoxabenz

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

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Identification

Generic Name
Guanoxabenz
DrugBank Accession Number
DB13410
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 247.08
Monoisotopic: 246.0075163
Chemical Formula
C8H8Cl2N4O
Synonyms
  • Guanoxabenz
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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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interactions in your software
AbaloparatideAbaloparatide may increase the hypotensive activities of Guanoxabenz.
AcebutololAcebutolol may increase the hypotensive activities of Guanoxabenz.
AceclofenacThe therapeutic efficacy of Guanoxabenz can be decreased when used in combination with Aceclofenac.
AcemetacinThe therapeutic efficacy of Guanoxabenz can be decreased when used in combination with Acemetacin.
Acetylsalicylic acidAcetylsalicylic acid may decrease the antihypertensive activities of Guanoxabenz.
Food Interactions
Not Available

Categories

ATC Codes
C02CC07 — Guanoxabenz
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Halobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
N-hydroxyguanidines / Aryl chlorides / Organopnictogen compounds / Organochlorides / Organic oxygen compounds / Hydrocarbon derivatives
Substituents
1,3-dichlorobenzene / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Guanidine / Hydrocarbon derivative / N-hydroxyguanidine / Organic nitrogen compound / Organic oxygen compound / Organochloride
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
P9HIK5V7WK
CAS number
24047-25-4
InChI Key
QKIQJNNDIWGVEH-UUILKARUSA-N
InChI
InChI=1S/C8H8Cl2N4O/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)/b12-4+
IUPAC Name
N'-[(E)-[(2,6-dichlorophenyl)methylidene]amino]-N-hydroxyguanidine
SMILES
ONC(=N)N\N=C\C1=C(Cl)C=CC=C1Cl

References

General References
Not Available
ChemSpider
7842543
ChEMBL
CHEMBL461343
ZINC
ZINC000005784328
Wikipedia
Guanoxabenz

Clinical Trials

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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 Solubility0.0951 mg/mLALOGPS
logP2.29ALOGPS
logP2.24Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)14.79Chemaxon
pKa (Strongest Basic)6.25Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area80.5 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity91.32 m3·mol-1Chemaxon
Polarizability22.36 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-MSsplash10-08i3-9450000000-e31409e5f435d299ab7c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-5bd6edbd92efb524d758
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-5290000000-1de20121e5fb1c8dda5e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0229-3970000000-cda786e4cf52c9d0efe4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-128a7e7f5f690d15d6f9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0596-5900000000-4888c03b1d979146fc37
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-9000000000-ac96156bb0aeb7122d08
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]-146.77565
predicted
DeepCCS 1.0 (2019)
[M+H]+149.17122
predicted
DeepCCS 1.0 (2019)
[M+Na]+155.22197
predicted
DeepCCS 1.0 (2019)

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