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

Identification

Generic Name
Auriclosene
DrugBank Accession Number
DB12197
Background

Auriclosene has been used in trials studying the treatment of Impetigo, Bacterial Conjunctivitis, Asymptomatic Bacteriuria, and Adenoviral Conjunctivitis.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 222.08
Monoisotopic: 220.9680197
Chemical Formula
C4H9Cl2NO3S
Synonyms
  • Auriclosene
External IDs
  • NVC-422

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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Sub Class
Organosulfonic acids and derivatives
Direct Parent
Organosulfonic acids
Alternative Parents
Sulfonyls / Alkanesulfonic acids / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Aliphatic acyclic compound / Alkanesulfonic acid / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organonitrogen compound / Organosulfonic acid / Organosulfur compound / Sulfonyl
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
BKR7Y95229
CAS number
846056-87-9
InChI Key
QYNRGGHZWCUZLK-UHFFFAOYSA-N
InChI
InChI=1S/C4H9Cl2NO3S/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H,8,9,10)
IUPAC Name
2-(dichloroamino)-2-methylpropane-1-sulfonic acid
SMILES
CC(C)(CS(O)(=O)=O)N(Cl)Cl

References

General References
Not Available
PubChem Compound
11708365
PubChem Substance
347828482
ChemSpider
9883087
ChEMBL
CHEMBL1207907

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedPreventionUrinary Catheter Blockage and Encrustation1
2CompletedTreatmentAdenoviral Conjunctivitis1
2CompletedTreatmentAsymptomatic Bacteriuria1
2CompletedTreatmentBacterial Conjunctivitis1
2CompletedTreatmentImpetigo1
2Unknown StatusPreventionUrinary Catheter Blockage and Encrustation1

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 Solubility2.14 mg/mLALOGPS
logP-1.1ALOGPS
logP0.0023Chemaxon
logS-2ALOGPS
pKa (Strongest Acidic)-1.8Chemaxon
pKa (Strongest Basic)-8.4Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area57.61 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity44.71 m3·mol-1Chemaxon
Polarizability18.44 Å3Chemaxon
Number of Rings0Chemaxon
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-MSNot Available
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

Drug created at October 20, 2016 21:35 / Updated at February 21, 2021 18:53