Noxytiolin
Star0
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
- Weight
- Average: 120.17
Monoisotopic: 120.03573406 - Chemical Formula
- C3H8N2OS
- Synonyms
- Noxitiolina
- Noxytiolin
- Noxytioline
- Noxytiolinum
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- 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
- 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]
- External Links
- ChemSpider
- 4418329
- 7543
- ChEBI
- 134756
- ChEMBL
- CHEMBL2106441
- ZINC
- ZINC000001482128
- Wikipedia
- Noxytiolin
Clinical Trials
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
Property Value Source Water Solubility 6.4 mg/mL ALOGPS logP -1 ALOGPS logP -0.61 Chemaxon logS -1.3 ALOGPS pKa (Strongest Acidic) 13.86 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 44.29 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 32.03 m3·mol-1 Chemaxon Polarizability 12.01 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-003r-9100000000-0de664e30939f0b52785 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-9400000000-8c6be969ddc7ee5964a8 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4j-9000000000-bb82d3f8013529a1a1dd Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-9100000000-832ac791d5fd737f4f05 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-235c50d696364b8e2cae Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-40392433e46822dc1a63 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-9000000000-ea89276a013d7c978088 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 123.32395 predictedDeepCCS 1.0 (2019) [M+H]+ 125.31325 predictedDeepCCS 1.0 (2019) [M+Na]+ 133.35844 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:49 / Updated at February 21, 2021 18:54