Guanoxan

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

Identification

Name
Guanoxan
Accession Number
DB13211
Type
Small Molecule
Groups
Experimental
Description

Antihypertensive agent similar in its mechanism of action to guanethidine; may cause liver damage.

Structure
Thumb
Synonyms
  • Guanoxano
  • Guanoxanum
External IDs
BRN 1251616
Product Ingredients
IngredientUNIICASInChI Key
Guanoxan sulfateN6IT80R85G5714-04-5NSGHAKPGHCNTPS-UHFFFAOYSA-N
Categories
UNII
9V0MRL0R5Y
CAS number
2165-19-7
Weight
Average: 207.233
Monoisotopic: 207.100776671
Chemical Formula
C10H13N3O2
InChI Key
HIUVKVDQFXDZHU-UHFFFAOYSA-N
InChI
InChI=1S/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13)
IUPAC Name
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]guanidine
SMILES
NC(=N)NCC1COC2=CC=CC=C2O1

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
DrugInteraction
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the hypotensive activities of Guanoxan.
AcebutololAcebutolol may increase the hypotensive activities of Guanoxan.
AcemetacinThe therapeutic efficacy of Guanoxan can be decreased when used in combination with Acemetacin.
Acetylsalicylic acidThe therapeutic efficacy of Guanoxan can be decreased when used in combination with Acetylsalicylic acid.
AlfuzosinAlfuzosin may increase the hypotensive activities of Guanoxan.
AliskirenAliskiren may increase the hypotensive activities of Guanoxan.
AlprenololAlprenolol may increase the hypotensive activities of Guanoxan.
AmbrisentanAmbrisentan may increase the hypotensive activities of Guanoxan.
AmifostineGuanoxan may increase the hypotensive activities of Amifostine.
AmlodipineAmlodipine may increase the hypotensive activities of Guanoxan.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
15704
ChEBI
134871
ChEMBL
CHEMBL76725
Wikipedia
Guanoxan
ATC Codes
C02CC03 — Guanoxan

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 Solubility1.33 mg/mLALOGPS
logP0.1ALOGPS
logP0.42ChemAxon
logS-2.2ALOGPS
pKa (Strongest Basic)11.99ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area80.36 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity65.35 m3·mol-1ChemAxon
Polarizability21.53 Å3ChemAxon
Number of Rings2ChemAxon
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/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 benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzodioxanes
Sub Class
Benzo-1,4-dioxanes
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
Alkyl aryl ethers / Para dioxins / Benzenoids / Guanidines / Propargyl-type 1,3-dipolar organic compounds / Oxacyclic compounds / Carboximidamides / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Benzo-1,4-dioxane / Alkyl aryl ether / Para-dioxin / Benzenoid / Guanidine / Ether / Carboximidamide / Oxacycle / Propargyl-type 1,3-dipolar organic compound / Organic 1,3-dipolar compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:37 / Updated on August 02, 2018 06:49