NAV

N-chlorotaurine

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

Identification

Generic Name
N-chlorotaurine
DrugBank Accession Number
DB06633
Background

N-chlorotaurine is an inhibitor of inducible nitric oxide synthase and IkappaB kinase.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 159.58
Monoisotopic: 158.9756919
Chemical Formula
C2H6ClNO3S
Synonyms
  • N-chlorotaurine
  • N-monochlorotaurine
  • NCT
  • Taurine chloramine
  • Taurine monochloramine
  • Taurochloramine
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Pharmacology

Indication

Investigated for use/treatment in eye disorders/infections.

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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Not Available
CAS number
51036-13-6
InChI Key
NMMHHSLZJLPMEG-UHFFFAOYSA-N
InChI
InChI=1S/C2H6ClNO3S/c3-4-1-2-8(5,6)7/h4H,1-2H2,(H,5,6,7)
IUPAC Name
2-(chloroamino)ethane-1-sulfonic acid
SMILES
OS(=O)(=O)CCNCl

References

General References
Not Available
ChemSpider
97129
ChEMBL
CHEMBL539204
ZINC
ZINC000005113729
Wikipedia
NCT

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility28.3 mg/mLALOGPS
logP-1.6ALOGPS
logP-1.9Chemaxon
logS-0.75ALOGPS
pKa (Strongest Acidic)-2.2Chemaxon
pKa (Strongest Basic)3.07Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area66.4 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity40.43 m3·mol-1Chemaxon
Polarizability13.07 Å3Chemaxon
Number of Rings0Chemaxon
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/MSsplash10-0a4l-0900000000-58a0c1a01f3682a72de3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0900000000-153cfa8fa42479a6de7b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9100000000-27c5345633b619b5cbf0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9100000000-3ef74accbcf46e6db622
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-d9150b0bb397b8c42967
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-0d78595c9e36b6080888
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at March 19, 2008 16:42 / Updated at June 12, 2020 16:52