Pimethixene
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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
- Pimethixene
- DrugBank Accession Number
- DB13292
- Background
Pimethixene is approved for use in Brazil and is marketed under the trade name Muricalm. It is an anticholinergic used in the treatment of bronchitis.
- Type
- Small Molecule
- Groups
- Approved
- Structure
- Weight
- Average: 293.43
Monoisotopic: 293.12382079 - Chemical Formula
- C19H19NS
- Synonyms
- Pimethixene
- External IDs
- BP 400
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
Pathway Category Pimethixene H1-Antihistamine Action Drug action - 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.
Drug Interaction Integrate drug-drug
interactions in your softwareDroxidopa The therapeutic efficacy of Droxidopa can be increased when used in combination with Pimethixene. Ephedrine The therapeutic efficacy of Ephedrine can be increased when used in combination with Pimethixene. Epinephrine The therapeutic efficacy of Epinephrine can be increased when used in combination with Pimethixene. Levonordefrin The therapeutic efficacy of Levonordefrin can be increased when used in combination with Pimethixene. Norepinephrine The therapeutic efficacy of Norepinephrine can be increased when used in combination with Pimethixene. - Food Interactions
- Not Available
Categories
- ATC Codes
- R06AX23 — Pimethixene
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzothiopyrans
- Sub Class
- 1-benzothiopyrans
- Direct Parent
- Thioxanthenes
- Alternative Parents
- Diarylthioethers / Piperidines / Benzenoids / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
- Substituents
- Amine / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Benzenoid / Diarylthioether / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- T46J20J26F
- CAS number
- 314-03-4
- InChI Key
- NZLVRVYNQYGMAB-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3
- IUPAC Name
- 1-methyl-4-(9H-thioxanthen-9-ylidene)piperidine
- SMILES
- CN1CCC(CC1)=C1C2=CC=CC=C2SC2=CC=CC=C12
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0240247
- ChemSpider
- 4656
- BindingDB
- 50097224
- 33712
- ChEBI
- 94787
- ChEMBL
- CHEMBL152408
- ZINC
- ZINC000000000627
- Wikipedia
- Pimethixene
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 0.00433 mg/mL ALOGPS logP 4.88 ALOGPS logP 4.23 Chemaxon logS -4.8 ALOGPS pKa (Strongest Basic) 7.96 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 3.24 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 102.4 m3·mol-1 Chemaxon Polarizability 33.78 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0fvu-0090000000-669233b3d4017cf5ae6d Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-474e53c2b4f35790f154 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-d39ccab97c61ac7afe56 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-303ba804d09cc2921e5c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-2d23813fcf5071f44339 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000e-2190000000-05be5bf03c466c06f26d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-1790000000-aafe5502ecc1100a553a 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]- 178.2593104 predictedDarkChem Lite v0.1.0 [M-H]- 178.5628104 predictedDarkChem Lite v0.1.0 [M-H]- 162.46147 predictedDeepCCS 1.0 (2019) [M+H]+ 179.2906104 predictedDarkChem Lite v0.1.0 [M+H]+ 179.1260104 predictedDarkChem Lite v0.1.0 [M+H]+ 164.81947 predictedDeepCCS 1.0 (2019) [M+Na]+ 178.8237104 predictedDarkChem Lite v0.1.0 [M+Na]+ 178.8552104 predictedDarkChem Lite v0.1.0 [M+Na]+ 170.91263 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:39 / Updated at February 21, 2021 18:54