Nicofuranose

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

Identification

Generic Name
Nicofuranose
DrugBank Accession Number
DB13422
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 600.54
Monoisotopic: 600.149242989
Chemical Formula
C30H24N4O10
Synonyms
  • Nicofuranose

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
Isosorbide mononitrateNicofuranose may increase the vasodilatory activities of Isosorbide mononitrate.
Patent BlueThe therapeutic efficacy of Nicofuranose can be decreased when used in combination with Patent Blue.
Food Interactions
Not Available

Categories

ATC Codes
C10AD03 — Nicofuranose
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Tetracarboxylic acids and derivatives
Direct Parent
Tetracarboxylic acids and derivatives
Alternative Parents
C-glycosyl compounds / Pentoses / Pyridinecarboxylic acids / Tetrahydrofurans / Heteroaromatic compounds / Hemiacetals / Carboxylic acid esters / Oxacyclic compounds / Azacyclic compounds / Organopnictogen compounds
show 3 more
Substituents
Aromatic heteromonocyclic compound / Azacycle / C-glycosyl compound / Carboxylic acid ester / Glycosyl compound / Hemiacetal / Heteroaromatic compound / Hydrocarbon derivative / Monosaccharide / Organic nitrogen compound
show 13 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
GF99P6327K
CAS number
15351-13-0
InChI Key
FUWFSXZKBMCSKF-ZASNTINBSA-N
InChI
InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1
IUPAC Name
[(2R,3S,4R,5R)-2-hydroxy-3,4-bis(pyridine-3-carbonyloxy)-5-[(pyridine-3-carbonyloxy)methyl]oxolan-2-yl]methyl pyridine-3-carboxylate
SMILES
[H][C@]1(COC(=O)C2=CN=CC=C2)O[C@](O)(COC(=O)C2=CN=CC=C2)[C@@]([H])(OC(=O)C2=CN=CC=C2)[C@]1([H])OC(=O)C1=CN=CC=C1

References

General References
Not Available
ChemSpider
23791
RxNav
104486
ChEBI
135846
ChEMBL
CHEMBL1697844
ZINC
ZINC000004217093
Wikipedia
Nicofuranose

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0593 mg/mLALOGPS
logP2ALOGPS
logP2.35Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)10.22Chemaxon
pKa (Strongest Basic)3.84Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area186.22 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity147.02 m3·mol-1Chemaxon
Polarizability58.8 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0fb9-0100915000-63dcb7f15c8d3d9b55c0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fmv-0209420000-7f7ff6365f1c1bb5916b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1900001000-264b19fbdecb0c3a6495
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00bi-4009200000-3e1f67b0632d4659ed5f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-5901102000-e44ce38af01256e0be1c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9206220000-c414f4d51a1b1c13b6a4
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-240.9397888
predicted
DarkChem Lite v0.1.0
[M-H]-222.44113
predicted
DeepCCS 1.0 (2019)
[M+H]+240.2061888
predicted
DarkChem Lite v0.1.0
[M+H]+224.266
predicted
DeepCCS 1.0 (2019)
[M+Na]+241.6511888
predicted
DarkChem Lite v0.1.0
[M+Na]+230.22276
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:41 / Updated at February 21, 2021 18:54