Taurolidine

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

Identification

Name
Taurolidine
Accession Number
DB12473
Type
Small Molecule
Groups
Investigational
Description

Taurolidine has been investigated for the prevention of Central Venous Catheter, Home Parenteral Nutrition, and Catheter-Related Infections.

Structure
Thumb
Synonyms
Not Available
External IDs
W-3100M
Categories
UNII
8OBZ1M4V3V
CAS number
19388-87-5
Weight
Average: 284.35
Monoisotopic: 284.061297359
Chemical Formula
C7H16N4O4S2
InChI Key
AJKIRUJIDFJUKJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2
IUPAC Name
4-[(1,1-dioxo-1lambda6,2,4-thiadiazinan-4-yl)methyl]-1lambda6,2,4-thiadiazinane-1,1-dione
SMILES
O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Taurolidine.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Taurolidine.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Taurolidine.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Taurolidine.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Taurolidine.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Taurolidine.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Taurolidine.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Taurolidine.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Taurolidine.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Taurolidine.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Taurolidine.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Taurolidine.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Taurolidine.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Taurolidine.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Taurolidine.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Taurolidine.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Taurolidine.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Taurolidine.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Taurolidine.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Taurolidine.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
29566
PubChem Substance
347828711
ChemSpider
27486
ChEBI
135173
ChEMBL
CHEMBL2105420
ATC Codes
B05CA05 — Taurolidine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentBrain and Central Nervous System Tumors1
1CompletedTreatmentCancer, Ovarian / Fallopian Tube Cancer / Primary Peritoneal Cavity Cancer1
1, 2RecruitingTreatmentPeriodontitis1
3CompletedPreventionInfection NOS / Parenteral Nutrition / Sepsis1
4Active Not RecruitingPreventionCatheter-Related Infections1
4CompletedPreventionCentral Venous Catheterization / Home Parenteral Nutrition1

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 Solubility16.2 mg/mLALOGPS
logP-2.1ALOGPS
logP-2.5ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)10.53ChemAxon
pKa (Strongest Basic)1.97ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area98.82 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity60.73 m3·mol-1ChemAxon
Polarizability26.08 Å3ChemAxon
Number of Rings2ChemAxon
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 thiadiazinanes. These are organic heterocyclic compounds containing a six-membered saturated heterocycle with two nitrogen, one sulfur, and three carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Thiadiazinanes
Sub Class
Not Available
Direct Parent
Thiadiazinanes
Alternative Parents
Organosulfonamides / Organic sulfonamides / Azacyclic compounds / Aminals / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Thiadiazinane / Organosulfonic acid amide / Organic sulfonic acid amide / Organosulfonic acid or derivatives / Organic sulfonic acid or derivatives / Azacycle / Aminal / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:31 / Updated on November 09, 2017 05:08