NAV

Valethamate

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
3D
Similar Structures
Weight
Average: 306.469
Monoisotopic: 306.242755695
Chemical Formula
C19H32NO2
Synonyms
Not Available
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Symptomatic treatment ofVisceral spasms•••••••••••••••••••••• •••••••••• ••••••••
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
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Not Available

Interactions

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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
Valethamate bromide6XFR940M2A90-22-2CEJGGHKJHDHLAZ-UHFFFAOYSA-M
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
EPIDOSIN COMPOSITUM 10 MG AMPUL, 3 ADETValethamate bromide (10 mg) + Acetaminophen (325 mg)SolutionRECORDATİ İLAÇ SAN. VE TİC. A.Ş.1970-11-11Not applicableTurkey flag
EPIDOSIN COMPOSITUM ÇOCUKLARA, 5 ADETValethamate bromide (10 mg) + Acetaminophen (325 mg)SolutionRECORDATİ İLAÇ SAN. VE TİC. A.Ş.1970-11-11Not applicableTurkey flag
EPIDOSIN COMPOSITUM DRAJEValethamate bromide (10 mg) + Acetaminophen (325 mg)Tablet, coatedRECORDATİ İLAÇ SAN. VE TİC. A.Ş.1986-02-13Not applicableTurkey flag

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
  1. TITCK Product Information: Epimol (valethamate bromide) solution for injection [Link]
  2. National Center for Advancing Translational Sciences: Valethamate [Link]
ChemSpider
5446
ChEBI
135303
ChEMBL
CHEMBL2111176

Clinical Trials

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PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet, coated10 mg
Tablet10 mg
Tablet20 mg
InjectionIntramuscular; Intravenous8 mg
Solution
Tablet, coated
Injection, solutionIntramuscular; Intravenous8 mg/ml
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility6.57e-05 mg/mLALOGPS
logP0.26ALOGPS
logP0.046Chemaxon
logS-6.7ALOGPS
pKa (Strongest Basic)-7.1Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area26.3 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity103.89 m3·mol-1Chemaxon
Polarizability36.55 Å3Chemaxon
Number of Rings1Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0002-4910000000-bac78cc824ee1a8dfce3
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]-177.86674
predicted
DeepCCS 1.0 (2019)
[M+H]+180.22476
predicted
DeepCCS 1.0 (2019)
[M+Na]+186.31804
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:43 / Updated at May 14, 2021 01:06