Dimefline
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Dimefline
- DrugBank Accession Number
- DB13482
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 323.392
Monoisotopic: 323.15214354 - Chemical Formula
- C20H21NO3
- Synonyms
- Dimefline
Pharmacology
- Indication
Not Available
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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
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.Not Available
- 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.
Categories
- ATC Codes
- R07AB08 — Dimefline
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Flavonoids
- Sub Class
- O-methylated flavonoids
- Direct Parent
- 7-O-methylated flavonoids
- Alternative Parents
- Flavones / Chromones / Anisoles / Pyranones and derivatives / Aralkylamines / Alkyl aryl ethers / Benzene and substituted derivatives / Heteroaromatic compounds / Trialkylamines / Oxacyclic compounds show 3 more
- Substituents
- 1-benzopyran / 7-methoxyflavonoid-skeleton / Alkyl aryl ether / Amine / Anisole / Aralkylamine / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Chromone show 17 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9WII5M0DU3
- CAS number
- 1165-48-6
- InChI Key
- ZXFQRFXLFWWKLX-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3
- IUPAC Name
- 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-4H-chromen-4-one
- SMILES
- COC1=CC=C2C(=O)C(C)=C(OC2=C1CN(C)C)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 2969
- ChEBI
- 135374
- ChEMBL
- CHEMBL519364
- ZINC
- ZINC000000000223
- Wikipedia
- Dimefline
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Solution / drops - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0373 mg/mL ALOGPS logP 3.51 ALOGPS logP 3.15 Chemaxon logS -3.9 ALOGPS pKa (Strongest Basic) 6.24 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 38.77 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 96.33 m3·mol-1 Chemaxon Polarizability 35.86 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 190.1371164 predictedDarkChem Lite v0.1.0 [M-H]- 177.12845 predictedDeepCCS 1.0 (2019) [M+H]+ 191.2557164 predictedDarkChem Lite v0.1.0 [M+H]+ 179.48647 predictedDeepCCS 1.0 (2019) [M+Na]+ 190.8055164 predictedDarkChem Lite v0.1.0 [M+Na]+ 186.60933 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:42 / Updated at February 21, 2021 18:54