NAV

Doxifluridine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Doxifluridine
DrugBank Accession Number
DB12947
Background

Doxifluridine has been investigated for the treatment of Stomach Cancer.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 246.1924
Monoisotopic: 246.065199677
Chemical Formula
C9H11FN2O5
Synonyms
  • 1-(β-D-5-desoxyribofuranoxyl)-5-fluoruracil
  • 5-fluoro-5'-deoxyuridine
  • 5'-deoxy-5-fluorouridine
  • 5'-DFUR
  • Doxifluridina
  • Doxifluridine
  • Doxifluridinum
External IDs
  • RO 21-9738
  • RO 219738
  • RO-219738
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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.
DrugInteraction
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interactions in your software
AbataceptThe risk or severity of adverse effects can be increased when Abatacept is combined with Doxifluridine.
AcenocoumarolThe risk or severity of bleeding can be increased when Doxifluridine is combined with Acenocoumarol.
AdalimumabThe risk or severity of adverse effects can be increased when Adalimumab is combined with Doxifluridine.
Adenovirus type 7 vaccine liveThe risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Doxifluridine.
AldesleukinThe risk or severity of adverse effects can be increased when Aldesleukin is combined with Doxifluridine.
Food Interactions
Not Available

Products

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International/Other Brands
Flutron / Furtulon

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
5'-deoxyribonucleosides
Sub Class
Not Available
Direct Parent
5'-deoxyribonucleosides
Alternative Parents
Glycosylamines / Pyrimidones / Halopyrimidines / Aryl fluorides / Hydropyrimidines / Vinylogous amides / Tetrahydrofurans / Heteroaromatic compounds / Ureas / Secondary alcohols
show 9 more
Substituents
1,2-diol / 5'-deoxyribonucleoside / Alcohol / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Glycosyl compound / Halopyrimidine / Heteroaromatic compound
show 20 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
organofluorine compound, pyrimidine 5'-deoxyribonucleoside (CHEBI:31521)
Affected organisms
Not Available

Chemical Identifiers

UNII
V1JK16Y2JP
CAS number
3094-09-5
InChI Key
ZWAOHEXOSAUJHY-ZIYNGMLESA-N
InChI
InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1
IUPAC Name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
SMILES
C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=O)NC1=O

References

General References
Not Available
Human Metabolome Database
HMDB0060406
KEGG Drug
D01309
KEGG Compound
C12739
PubChem Compound
18343
PubChem Substance
347829090
ChemSpider
17322
BindingDB
50132295
ChEBI
31521
ChEMBL
CHEMBL1130
ZINC
ZINC000001319177
Wikipedia
Doxifluridine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedSupportive CareGastric Cancer1
3CompletedTreatmentGastric Cancer2
1CompletedTreatmentLiver Cancer / Metastatic Cancer1

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 Solubility37.7 mg/mLALOGPS
logP-0.77ALOGPS
logP-1.2Chemaxon
logS-0.81ALOGPS
pKa (Strongest Acidic)8.07Chemaxon
pKa (Strongest Basic)-3.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area99.1 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity51.22 m3·mol-1Chemaxon
Polarizability20.99 Å3Chemaxon
Number of Rings2Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-056u-9210000000-68ddd4a6bcf1d8ff7c3f
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000t-3920000000-df9644460b025f5e3cf9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00fu-7910000000-52ea66229c1f3b8a19b7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q1-9300000000-fc72a9de01872e046bb5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9200000000-3f9e4ed06f7f5bfb79f6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00e9-5900000000-52bd56e255fbc0e0c81b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9600000000-ec657cb53e18ece906ad
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000t-3920000000-df9644460b025f5e3cf9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00fu-7910000000-52ea66229c1f3b8a19b7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q1-9300000000-fc72a9de01872e046bb5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9200000000-3f9e4ed06f7f5bfb79f6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9600000000-ec657cb53e18ece906ad
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00e9-5900000000-52bd56e255fbc0e0c81b
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]-157.2577097
predicted
DarkChem Lite v0.1.0
[M-H]-153.0681
predicted
DeepCCS 1.0 (2019)
[M-H]-157.2577097
predicted
DarkChem Lite v0.1.0
[M-H]-153.0681
predicted
DeepCCS 1.0 (2019)
[M+H]+159.3055097
predicted
DarkChem Lite v0.1.0
[M+H]+155.46422
predicted
DeepCCS 1.0 (2019)
[M+H]+159.3055097
predicted
DarkChem Lite v0.1.0
[M+H]+155.46422
predicted
DeepCCS 1.0 (2019)
[M+Na]+157.6968097
predicted
DarkChem Lite v0.1.0
[M+Na]+161.49538
predicted
DeepCCS 1.0 (2019)
[M+Na]+157.6968097
predicted
DarkChem Lite v0.1.0
[M+Na]+161.49538
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:32 / Updated at February 21, 2021 18:54