Parathiazine

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

Identification

Generic Name
Parathiazine
DrugBank Accession Number
DB15978
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 296.43
Monoisotopic: 296.134719826
Chemical Formula
C18H20N2S
Synonyms
  • Parathiazine
  • Paratiazina
  • Pyrathiazine

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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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Product Ingredients
IngredientUNIICASInChI Key
Parathiazine teoclate638RNV3D4A34717-26-5YZSKPNOSWJZQRA-UHFFFAOYSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
2305SQ56Z2
CAS number
84-08-2
InChI Key
KJKJUXGEMYCCJN-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N2S/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17/h1-4,7-10H,5-6,11-14H2
IUPAC Name
10-[2-(pyrrolidin-1-yl)ethyl]-10H-phenothiazine
SMILES
C(CN1C2=CC=CC=C2SC2=C1C=CC=C2)N1CCCC1

References

General References
Not Available
ChemSpider
10198
BindingDB
81472
ChEBI
135253
ChEMBL
CHEMBL1887666
ZINC
ZINC000000002004

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet, sugar coatedOral
Tablet, film coatedOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0161 mg/mLALOGPS
logP4.87ALOGPS
logP4.28Chemaxon
logS-4.3ALOGPS
pKa (Strongest Basic)8.65Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area6.48 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity91.63 m3·mol-1Chemaxon
Polarizability33.82 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-0002-0090000000-b708aa9e72d238297783
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-41a8af1ab96cad92eeb7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004j-6090000000-85e1db80de7258f99c62
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0390000000-50df87516c9c4910df08
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0faj-8090000000-cdabc369cf5f49ecedfb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0950000000-a812a3dfde0fc4475101
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]-176.0000922
predicted
DarkChem Lite v0.1.0
[M-H]-158.6759
predicted
DeepCCS 1.0 (2019)
[M+H]+176.3789922
predicted
DarkChem Lite v0.1.0
[M+H]+161.07147
predicted
DeepCCS 1.0 (2019)
[M+Na]+176.8578922
predicted
DarkChem Lite v0.1.0
[M+Na]+167.06631
predicted
DeepCCS 1.0 (2019)

Drug created at December 03, 2020 21:32 / Updated at February 21, 2021 18:55