Uracil C-13
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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
- Uracil C-13
- DrugBank Accession Number
- DB16345
- Background
Uracil C-13 is under investigation in clinical trial NCT01677338 (Phase 2 Study to Evaluate the Preliminary Performance of the C13-URA Breath Test Kit in Dyspeptic Subjects).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 113.08
Monoisotopic: 113.030632212 - Chemical Formula
- C4H4N2O2
- Synonyms
- 13C-uracil
- Uracil (2-13c)
- Uracil 2c-13
- Uracil C-13, 2-
- Uracil-(2-13c)
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
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- OZF8J4VAIK
- CAS number
- 35803-45-3
- InChI Key
- ISAKRJDGNUQOIC-AZXPZELESA-N
- InChI
- InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)/i4+1
- IUPAC Name
- 1,2,3,4-tetrahydro(2-13C)pyrimidine-2,4-dione
- SMILES
- O=C1N[13C](=O)NC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 8346745
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Diagnostic Dyspeptic Subjects 1
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 26.5 mg/mL ALOGPS logP -1.2 ALOGPS logP -0.86 Chemaxon logS -0.63 ALOGPS pKa (Strongest Acidic) 8.8 Chemaxon pKa (Strongest Basic) -5.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 58.2 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 25.97 m3·mol-1 Chemaxon Polarizability 9.37 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-1900000000-4e6aa807e441429e576b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-01ox-9500000000-9d05bf557b2ec3bc4ab0 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-863821a68fe657ce4421 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03dl-9600000000-8f917866d4ffd52014f1 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-5bf0f7edd5fac30110ce Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0f6x-9000000000-e07270f87fde1f5cdcfa 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]- 115.0806971 predictedDarkChem Lite v0.1.0 [M+H]+ 115.9085971 predictedDarkChem Lite v0.1.0 [M+Na]+ 115.7104971 predictedDarkChem Lite v0.1.0
Drug created at December 15, 2020 20:03 / Updated at December 20, 2020 03:42