Imolamine

Identification

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Name
Imolamine
Accession Number
DB09284
Type
Small Molecule
Groups
Investigational
Description

Imolamine is a compound with a molecular weight of 260.33 g/mol with the formula diethyl[2-{5-imino-3-phenyl-4,5-dihydro-1,2,3-oxadiazol,-4-yl)ethyl]amine. It is developed under the brand name Coremax by Novartis consumer health SA.

Structure
Thumb
Synonyms
  • 3-Phenyl-4-diethylaminoethyl-5-imino-1,2,4-oxadiazol
  • Imolamina
  • Imolamine
  • Imolaminum
Product Ingredients
IngredientUNIICASInChI Key
Imolamine hydrochlorideYJ3KV70R4115823-89-9OMMBWIJMWMSGBX-UHFFFAOYSA-N
Categories
UNII
K5F4RU5VQJ
CAS number
318-23-0
Weight
Average: 260.341
Monoisotopic: 260.16371128
Chemical Formula
C14H20N4O
InChI Key
MGSPDRWOUCPKNZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H20N4O/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
IUPAC Name
diethyl[2-(5-imino-3-phenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl)ethyl]amine
SMILES
CCN(CC)CCN1C(=N)ON=C1C1=CC=CC=C1

Pharmacology

Indication

Imolamine is indicated for the treatment of angina pectoris. The hydrochloride form is used as a local anesthetic.2

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
Toxicity

It is reported to present a moderate liver toxicity.1 In preclinical studies, the acute toxicity was analyzed when administered orally and intravenously. The LD50 of imolamine was 650 mg/kg and 250 mg/kg for oral and intravenous administration, respectively.MSDS

Affected organisms
  • Humans and other mammals
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
Patent BlueThe therapeutic efficacy of Imolamine can be decreased when used in combination with Patent Blue.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

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Food Interactions
Not Available

References

General References
  1. Biour M, Ben Salem C, Chazouilleres O, Grange JD, Serfaty L, Poupon R: [Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs]. Gastroenterol Clin Biol. 2004 Aug-Sep;28(8-9):720-59. [PubMed:15646539]
  2. Elks J. and Ganellin C.R. (1990). The dictionary of drugs. Springer Science.
External Links
KEGG Drug
D07159
PubChem Compound
27501
PubChem Substance
310265177
ChemSpider
10669810
ChEBI
135072
ChEMBL
CHEMBL2104282
Wikipedia
Imolamine
ATC Codes
C01DX09 — Imolamine
MSDS
Download (54.7 KB)

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)154-155ºCBuckingham. Dictionary of organic compounds. vol. 4. 1996.
boiling point (°C)165ºCElks. The dictionary of drugs. 1990
logP1.96'MSDS'
Predicted Properties
PropertyValueSource
Water Solubility0.162 mg/mLALOGPS
logP1.92ALOGPS
logP2.78ChemAxon
logS-3.2ALOGPS
pKa (Strongest Basic)8.17ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area51.92 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity87.17 m3·mol-1ChemAxon
Polarizability28.81 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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Oxadiazoles
Direct Parent
Phenyloxadiazoles
Alternative Parents
Benzene and substituted derivatives / Heteroaromatic compounds / Trialkylamines / Oxacyclic compounds / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Hydrocarbon derivatives
Substituents
Phenyl-1,2,4-oxadiazole / Monocyclic benzene moiety / Benzenoid / Heteroaromatic compound / Tertiary amine / Tertiary aliphatic amine / Azacycle / Oxacycle / Hydrocarbon derivative / Organopnictogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 29, 2015 12:05 / Updated on September 02, 2019 21:46