NAV

Acotiamide

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Acotiamide
DrugBank Accession Number
DB12482
Background

Acotiamide has been used in trials studying the treatment of Dyspepsia and Functional Dyspepsia.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 450.55
Monoisotopic: 450.193691256
Chemical Formula
C21H30N4O5S
Synonyms
  • Acotiamide
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Pharmacology

Indication

Not Available

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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
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.
DrugInteraction
Integrate drug-drug
interactions in your software
AcebutololAcotiamide may increase the bradycardic activities of Acebutolol.
AcetylcholineThe risk or severity of adverse effects can be increased when Acotiamide is combined with Acetylcholine.
AclidiniumAcotiamide may increase the neuromuscular blocking activities of Aclidinium.
AmantadineThe therapeutic efficacy of Amantadine can be decreased when used in combination with Acotiamide.
AmifampridineThe risk or severity of adverse effects can be increased when Acotiamide is combined with Amifampridine.
Food Interactions
Not Available

Products

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Categories

ATC Codes
A03FA10 — Acotiamide
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Salicylamides
Alternative Parents
Methoxyphenols / Dimethoxybenzenes / 4-alkoxyphenols / Benzamides / Thiazolecarboxamides / Phenoxy compounds / 2-heteroaryl carboxamides / Benzoyl derivatives / Anisoles / 1-hydroxy-2-unsubstituted benzenoids
show 11 more
Substituents
1-hydroxy-2-unsubstituted benzenoid / 2,4-disubstituted 1,3-thiazole / 2-heteroaryl carboxamide / 4-alkoxyphenol / Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aromatic heteromonocyclic compound / Azacycle
show 30 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
salicylamides (CHEBI:34523)
Affected organisms
Not Available

Chemical Identifiers

UNII
D42OWK5383
CAS number
185106-16-5
InChI Key
TWHZNAUBXFZMCA-UHFFFAOYSA-N
InChI
InChI=1S/C21H30N4O5S/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27)
IUPAC Name
N-{2-[bis(propan-2-yl)amino]ethyl}-2-(2-hydroxy-4,5-dimethoxybenzamido)-1,3-thiazole-4-carboxamide
SMILES
COC1=C(OC)C=C(C(=O)NC2=NC(=CS2)C(=O)NCCN(C(C)C)C(C)C)C(O)=C1

References

General References
Not Available
KEGG Compound
C14127
PubChem Compound
5282338
PubChem Substance
347828720
ChemSpider
4445505
ChEBI
34523
ChEMBL
CHEMBL2107723
ZINC
ZINC000002002237
Wikipedia
Acotiamide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentDyspepsia2
Not AvailableCompletedOtherHealthy Volunteers (HV)1
Not AvailableCompletedTreatmentDyspepsia / Helicobacter Pylori Infection1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
TabletOral100.000 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0191 mg/mLALOGPS
logP3.12ALOGPS
logP1.62Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)8.24Chemaxon
pKa (Strongest Basic)9.62Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area113.02 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity121.14 m3·mol-1Chemaxon
Polarizability48.33 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pb9-0002900000-74474b6ef17aaf17ce0e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0421900000-42f5191b4796b270d706
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uxr-0409100000-6b859d22678b56bf32bd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004l-1591400000-7e918039f1fce7199143
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-1917200000-3446f02ca6c800d566d4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0489200000-d856f1181ddb065365f4
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]-200.10652
predicted
DeepCCS 1.0 (2019)
[M+H]+202.50209
predicted
DeepCCS 1.0 (2019)
[M+Na]+208.43867
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:33 / Updated at February 21, 2021 18:53