Noxytiolin

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

Identification

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Name
Noxytiolin
Accession Number
DB13838
Type
Small Molecule
Groups
Approved
Description

Local antibacterial that probably acts by releasing formaldehyde in aqueous solutions. It is used for THERAPEUTIC IRRIGATION of infected body cavities - bladder, peritoneum, etc. and as a spray for burns.

Structure
Thumb
Synonyms
  • Noxitiolina
  • Noxytiolin
  • Noxytioline
  • Noxytiolinum
International/Other Brands
Noxyflex / Noxyflex S
Categories
UNII
4DN3AF1FU6
CAS number
15599-39-0
Weight
Average: 120.17
Monoisotopic: 120.03573406
Chemical Formula
C3H8N2OS
InChI Key
JLMHZVYLAQPMOZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7)
IUPAC Name
3-(hydroxymethyl)-1-methylthiourea
SMILES
CNC(=S)NCO

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
  1. Zmrhal J, Nezadalova E: [Intraperitoneal administration of noxythiolin VUFB in the prevention and therapy of inflammatory postoperative complications in gynecology]. Cesk Gynekol. 1992 Apr;57(2):71-3. [PubMed:1628340]
External Links
ChemSpider
4418329
ChEBI
134756
ChEMBL
CHEMBL2106441
Wikipedia
Noxytiolin
ATC Codes
B05CA07 — Noxytiolin

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 Solubility6.4 mg/mLALOGPS
logP-1ALOGPS
logP-0.61ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)13.86ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area44.29 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity32.03 m3·mol-1ChemAxon
Polarizability12.01 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 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

Taxonomy

Description
This compound belongs to the class of organic compounds known as thioureas. These are organic compounds containing the thiourea functional group, a derivative of urea with the general structure (R1(N)R2C(=S)(R3)R4, R1-R4=H, alkyl, aryl), obtained by replacing the carbonyl group of urea with a thiocarbonyl group.
Kingdom
Organic compounds
Super Class
Organosulfur compounds
Class
Thioureas
Sub Class
Not Available
Direct Parent
Thioureas
Alternative Parents
Alkanolamines / Organopnictogen compounds / Organooxygen compounds / Hydrocarbon derivatives
Substituents
Thiourea / Alkanolamine / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Hydrocarbon derivative / Organooxygen compound / Organonitrogen compound / Aliphatic acyclic compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:49 / Updated on December 02, 2019 10:06