This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Copper usnate
- DrugBank Accession Number
- DB13830
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Copper usnate (DB13830)
- Weight
- Average: 405.849
Monoisotopic: 405.003551 - Chemical Formula
- C18H14CuO7
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Categories
- ATC Codes
- G01AX15 — Copper usnate
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2EV5P25E2S
- CAS number
- Not Available
- InChI Key
- BJKWDVRCNOATJS-UHFFFAOYSA-L
- InChI
- InChI=1S/C18H16O7.Cu/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;/h5,11,22-23H,1-4H3;/q;+2/p-2
- IUPAC Name
- copper(2+) 6,12-diacetyl-1,4-dimethyl-11,13-dioxo-8-oxatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,9-tetraene-3,5-bis(olate)
- SMILES
- [Cu++].CC(=O)C1C(=O)C=C2OC3=C(C(C)=O)C([O-])=C(C)C([O-])=C3C2(C)C1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 30647422
- Wikipedia
- Copper_usnate
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0277 mg/mL ALOGPS logP 2.91 ALOGPS logP 2.39 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 7.47 Chemaxon pKa (Strongest Basic) -5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 123.63 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 109.65 m3·mol-1 Chemaxon Polarizability 33.12 Å3 Chemaxon Number of Rings 3 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at June 23, 2017 20:49 / Updated at June 12, 2020 16:53