This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Valethamate is an anticholinergic medication used to symptomatically manage conditions involving smooth muscle spasms including spastic constipation, dysmenorrhea, and gastrointestinal tract cramping.
- Generic Name
- Valethamate
- DrugBank Accession Number
- DB13497
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Valethamate (DB13497)
- Weight
- Average: 306.469
Monoisotopic: 306.242755695 - Chemical Formula
- C19H32NO2
- Synonyms
- Not Available
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 Symptomatic treatment of Visceral spasms •••••••••••• •••••••••• •••••••••• •••••••• - 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 Valethamate bromide 6XFR940M2A 90-22-2 CEJGGHKJHDHLAZ-UHFFFAOYSA-M - Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image EPIDOSIN COMPOSITUM 10 MG AMPUL, 3 ADET Valethamate bromide (10 mg) + Acetaminophen (325 mg) Solution RECORDATİ İLAÇ SAN. VE TİC. A.Ş. 1970-11-11 Not applicable Turkey 
EPIDOSIN COMPOSITUM ÇOCUKLARA, 5 ADET Valethamate bromide (10 mg) + Acetaminophen (325 mg) Solution RECORDATİ İLAÇ SAN. VE TİC. A.Ş. 1970-11-11 Not applicable Turkey EPIDOSIN COMPOSITUM DRAJE Valethamate bromide (10 mg) + Acetaminophen (325 mg) Tablet, coated RECORDATİ İLAÇ SAN. VE TİC. A.Ş. 1986-02-13 Not applicable Turkey
Categories
- ATC Codes
- A03AX14 — Valethamate
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Phenylpropanes
- Direct Parent
- Phenylpropanes
- Alternative Parents
- Fatty acid esters / Tetraalkylammonium salts / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organopnictogen compounds / Organic salts / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds / Amines show 1 more
- Substituents
- Amine / Aromatic homomonocyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Fatty acid ester / Fatty acyl / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic cation show 10 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- D64S64QVX7
- CAS number
- 16376-74-2
- InChI Key
- UPPMZCXMQRVMME-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1
- IUPAC Name
- diethyl(methyl){2-[(3-methyl-2-phenylpentanoyl)oxy]ethyl}azanium
- SMILES
- CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1
References
- General References
- External Links
- ChemSpider
- 5446
- ChEBI
- 135303
- ChEMBL
- CHEMBL2111176
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet, coated 10 mg Tablet 10 mg Tablet 20 mg Injection Intramuscular; Intravenous 8 mg Solution Tablet, coated Injection, solution Intramuscular; Intravenous 8 mg/ml - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 6.57e-05 mg/mL ALOGPS logP 0.26 ALOGPS logP 0.046 Chemaxon logS -6.7 ALOGPS pKa (Strongest Basic) -7.1 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 26.3 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 103.89 m3·mol-1 Chemaxon Polarizability 36.55 Å3 Chemaxon Number of Rings 1 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 splash10-0002-4910000000-bac78cc824ee1a8dfce3 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]- 177.86674 predictedDeepCCS 1.0 (2019) [M+H]+ 180.22476 predictedDeepCCS 1.0 (2019) [M+Na]+ 186.31804 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:43 / Updated at May 14, 2021 01:06