NAV

Uracil C-13

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
3D
Similar Structures
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)
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Pharmacology

Indication

Not Available

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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

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
ChemSpider
8346745

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedDiagnosticDyspeptic Subjects1

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
PropertyValueSource
Water Solubility26.5 mg/mLALOGPS
logP-1.2ALOGPS
logP-0.86Chemaxon
logS-0.63ALOGPS
pKa (Strongest Acidic)8.8Chemaxon
pKa (Strongest Basic)-5.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area58.2 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity25.97 m3·mol-1Chemaxon
Polarizability9.37 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-1900000000-4e6aa807e441429e576b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-9500000000-9d05bf557b2ec3bc4ab0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-863821a68fe657ce4421
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dl-9600000000-8f917866d4ffd52014f1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-5bf0f7edd5fac30110ce
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6x-9000000000-e07270f87fde1f5cdcfa
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]-115.0806971
predicted
DarkChem Lite v0.1.0
[M+H]+115.9085971
predicted
DarkChem Lite v0.1.0
[M+Na]+115.7104971
predicted
DarkChem Lite v0.1.0

Drug created at December 15, 2020 20:03 / Updated at December 20, 2020 03:42