NAV

Noxytiolin

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

Identification

Generic Name
Noxytiolin
DrugBank Accession Number
DB13838
Background

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.

Type
Small Molecule
Groups
Approved
Structure
3D
Similar Structures
Weight
Average: 120.17
Monoisotopic: 120.03573406
Chemical Formula
C3H8N2OS
Synonyms
  • Noxitiolina
  • Noxytiolin
  • Noxytioline
  • Noxytiolinum
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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.
Not Available
Food Interactions
Not Available

Products

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International/Other Brands
Noxyflex / Noxyflex S

Categories

ATC Codes
B05CA07 — Noxytiolin
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Aliphatic acyclic compound / Alkanolamine / Hydrocarbon derivative / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound / Organooxygen compound / Organopnictogen compound / Thiourea
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4DN3AF1FU6
CAS number
15599-39-0
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

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. [Article]
ChemSpider
4418329
RxNav
7543
ChEBI
134756
ChEMBL
CHEMBL2106441
ZINC
ZINC000001482128
Wikipedia
Noxytiolin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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-MSsplash10-003r-9100000000-0de664e30939f0b52785
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9400000000-8c6be969ddc7ee5964a8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4j-9000000000-bb82d3f8013529a1a1dd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9100000000-832ac791d5fd737f4f05
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-235c50d696364b8e2cae
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-40392433e46822dc1a63
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9000000000-ea89276a013d7c978088
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]-123.32395
predicted
DeepCCS 1.0 (2019)
[M+H]+125.31325
predicted
DeepCCS 1.0 (2019)
[M+Na]+133.35844
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:49 / Updated at February 21, 2021 18:54