NAV

Imolamine

Identification

Generic Name
Imolamine
DrugBank Accession Number
DB09284
Background

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.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 260.341
Monoisotopic: 260.16371128
Chemical Formula
C14H20N4O
Synonyms
  • 3-Phenyl-4-diethylaminoethyl-5-imino-1,2,4-oxadiazol
  • Imolamina
  • Imolamine
  • Imolaminum
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Pharmacology

Indication

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

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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

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

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
IloprostIloprost may increase the hypotensive activities of Imolamine.
Isosorbide mononitrateImolamine may increase the vasodilatory activities of Isosorbide mononitrate.
Patent BlueThe therapeutic efficacy of Imolamine can be decreased when used in combination with Patent Blue.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Imolamine hydrochlorideYJ3KV70R4115823-89-9OMMBWIJMWMSGBX-UHFFFAOYSA-N

Categories

ATC Codes
C01DX09 — Imolamine
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Amine / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Heteroaromatic compound / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
  • Humans and other mammals

Chemical Identifiers

UNII
K5F4RU5VQJ
CAS number
318-23-0
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

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. [Article]
  2. Elks J. and Ganellin C.R. (1990). The dictionary of drugs. Springer Science.
KEGG Drug
D07159
PubChem Compound
27501
PubChem Substance
310265177
ChemSpider
10669810
ChEBI
135072
ChEMBL
CHEMBL2104282
ZINC
ZINC000000001560
Wikipedia
Imolamine
MSDS
Download (54.7 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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-MSsplash10-0fe0-9730000000-86aa16686af32744eeab
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0390000000-5890ef1ccd2c0cd62e18
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-1290000000-6f58f487df78ae7748a8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dr-1960000000-f4438d5cd7bbc93ba7ab
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-4690000000-4fe5b836bff1e33c4e9d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-4910000000-23fb58fb394659ed4921
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6x-9520000000-a28d8408b0dd98481fef
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]-157.20912
predicted
DeepCCS 1.0 (2019)
[M+H]+159.56712
predicted
DeepCCS 1.0 (2019)
[M+Na]+165.66026
predicted
DeepCCS 1.0 (2019)

Drug created at October 29, 2015 18:05 / Updated at February 02, 2024 22:52