Parathiazine
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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
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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.
- Product Ingredients
Ingredient UNII CAS InChI Key Parathiazine teoclate 638RNV3D4A 34717-26-5 YZSKPNOSWJZQRA-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
- External Links
- ChemSpider
- 10198
- BindingDB
- 81472
- ChEBI
- 135253
- ChEMBL
- CHEMBL1887666
- ZINC
- ZINC000000002004
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet, sugar coated Oral Tablet, film coated Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0161 mg/mL ALOGPS logP 4.87 ALOGPS logP 4.28 Chemaxon logS -4.3 ALOGPS pKa (Strongest Basic) 8.65 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 6.48 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 91.63 m3·mol-1 Chemaxon Polarizability 33.82 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0090000000-b708aa9e72d238297783 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0090000000-41a8af1ab96cad92eeb7 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004j-6090000000-85e1db80de7258f99c62 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0390000000-50df87516c9c4910df08 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0faj-8090000000-cdabc369cf5f49ecedfb Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0950000000-a812a3dfde0fc4475101 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]- 176.0000922 predictedDarkChem Lite v0.1.0 [M-H]- 158.6759 predictedDeepCCS 1.0 (2019) [M+H]+ 176.3789922 predictedDarkChem Lite v0.1.0 [M+H]+ 161.07147 predictedDeepCCS 1.0 (2019) [M+Na]+ 176.8578922 predictedDarkChem Lite v0.1.0 [M+Na]+ 167.06631 predictedDeepCCS 1.0 (2019)
Drug created at December 03, 2020 21:32 / Updated at February 21, 2021 18:55