This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Pipethanate is an antimuscarinic agent indicated to treat spastic pain of the gastrointestinal system.
- Generic Name
- Pipethanate
- DrugBank Accession Number
- DB15888
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Pipethanate (DB15888)
- Weight
- Average: 339.435
Monoisotopic: 339.183443669 - Chemical Formula
- C21H25NO3
- Synonyms
- Piperilate
- Pipetanato
- Pipethanate
- Pipethanatum
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Treatment of Gastrointestinal spastic and hypermotility disorders •••••••••••• ••••• •••••••••• ••••••••• •••••••••••• ••••••• •••••• Treatment of Biliary tract spasm •••••••••••• ••••• •••••••••• ••••••••• •••••••••••• ••••••• •••••• For therapy Spastic state and impaired motility of the urinary tract •••••••••••• ••••• •••••••••• ••••••••• •••••••••••• ••••••• •••••• For therapy Spastic state and impaired motility of the urinary tract •••••••••••• ••••• •••••••••• ••••••••• •••••••••••• ••••••• •••••• Treatment of Spastic state and impaired motility of the urinary tract •••••••••••• ••••• •••••••••• ••••••••• •••••••••••• ••••••• •••••• - Associated Therapies
- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 Pipethanate ethobromide ZA38L5WD1K 23182-46-9 VPUGSHLBERYQGC-UHFFFAOYSA-M Pipethanate hydrochloride 07OS4SZ89Z 4544-15-4 ZJVKLBBPLUXEAC-UHFFFAOYSA-N
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- P32MG14U83
- CAS number
- 4546-39-8
- InChI Key
- RZWPJFMNFATBEG-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2
- IUPAC Name
- 2-(piperidin-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate
- SMILES
- OC(C(=O)OCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
References
- General References
- AIFA Product Information: SPASMODIL (pipethanate ethobromide) tablet, injection, and suppository [Link]
- External Links
- ChemSpider
- 19471
- ChEBI
- 135438
- ChEMBL
- CHEMBL1722893
- ZINC
- ZINC000000188746
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection, solution Intramuscular; Intravenous Tablet, coated Oral Injection, solution Parenteral 10 mg/mL Suppository Rectal 60 mg Tablet, coated Oral 10 mg Tablet, coated Oral 20 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0714 mg/mL ALOGPS logP 3.46 ALOGPS logP 3.57 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 11.05 Chemaxon pKa (Strongest Basic) 8.06 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 49.77 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 98.41 m3·mol-1 Chemaxon Polarizability 37.72 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 splash10-00di-0009000000-3f792992669c6cb626c0 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0619000000-b4012cf6e9adee5c83aa Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03k9-2689000000-b5c5f00170383078f903 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-053r-0900000000-78526b78c2944395c354 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4j-0900000000-1529eec6b8a6a1a6c62d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-05rc-9521000000-b5931310dfd5f41f273f 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]- 193.613132 predictedDarkChem Lite v0.1.0 [M+H]+ 193.554032 predictedDarkChem Lite v0.1.0 [M+Na]+ 193.072932 predictedDarkChem Lite v0.1.0
Drug created at September 28, 2020 20:17 / Updated at May 07, 2021 21:08