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
- Weight
- Average: 260.341
Monoisotopic: 260.16371128 - Chemical Formula
- C14H20N4O
- Synonyms
- 3-Phenyl-4-diethylaminoethyl-5-imino-1,2,4-oxadiazol
- Imolamina
- Imolamine
- Imolaminum
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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- 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
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.
Drug Interaction Integrate drug-drug
interactions in your softwareIloprost Iloprost may increase the hypotensive activities of Imolamine. Isosorbide mononitrate Imolamine may increase the vasodilatory activities of Isosorbide mononitrate. Patent Blue The therapeutic efficacy of Imolamine can be decreased when used in combination with Patent Blue. - 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 Imolamine hydrochloride YJ3KV70R41 15823-89-9 OMMBWIJMWMSGBX-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
- 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]
- 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
- ZINC
- ZINC000000001560
- Wikipedia
- Imolamine
- MSDS
- Download (54.7 KB)
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 154-155ºC Buckingham. Dictionary of organic compounds. vol. 4. 1996. boiling point (°C) 165ºC Elks. The dictionary of drugs. 1990 logP 1.96 'MSDS' - Predicted Properties
Property Value Source Water Solubility 0.162 mg/mL ALOGPS logP 1.92 ALOGPS logP 2.78 Chemaxon logS -3.2 ALOGPS pKa (Strongest Basic) 8.17 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 51.92 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 87.17 m3·mol-1 Chemaxon Polarizability 28.81 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No 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 splash10-0fe0-9730000000-86aa16686af32744eeab Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0390000000-5890ef1ccd2c0cd62e18 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-1290000000-6f58f487df78ae7748a8 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03dr-1960000000-f4438d5cd7bbc93ba7ab Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4l-4690000000-4fe5b836bff1e33c4e9d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-4910000000-23fb58fb394659ed4921 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0f6x-9520000000-a28d8408b0dd98481fef 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]- 157.20912 predictedDeepCCS 1.0 (2019) [M+H]+ 159.56712 predictedDeepCCS 1.0 (2019) [M+Na]+ 165.66026 predictedDeepCCS 1.0 (2019)
Drug created at October 29, 2015 18:05 / Updated at February 02, 2024 22:52