Nifurtoinol
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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
- Nifurtoinol
- DrugBank Accession Number
- DB13730
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 268.185
Monoisotopic: 268.044383994 - Chemical Formula
- C9H8N4O6
- Synonyms
- Nifurtoinol
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
Categories
- ATC Codes
- J01XE02 — Nifurtoinol
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Azolidines
- Sub Class
- Imidazolidines
- Direct Parent
- Hydantoins
- Alternative Parents
- Alpha amino acids and derivatives / Nitroaromatic compounds / Nitrofurans / Semicarbazones / Dicarboximides / Heteroaromatic compounds / Organic carbonic acids and derivatives / Oxacyclic compounds / Propargyl-type 1,3-dipolar organic compounds / Alkanolamines show 7 more
- Substituents
- 2-nitrofuran / Alkanolamine / Allyl-type 1,3-dipolar organic compound / Alpha-amino acid or derivatives / Aromatic heteromonocyclic compound / Azacycle / C-nitro compound / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative show 20 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 980688H13O
- CAS number
- 1088-92-2
- InChI Key
- UIDWQGRXEVDFCA-XCVCLJGOSA-N
- InChI
- InChI=1S/C9H8N4O6/c14-5-11-7(15)4-12(9(11)16)10-3-6-1-2-8(19-6)13(17)18/h1-3,14H,4-5H2/b10-3+
- IUPAC Name
- 3-(hydroxymethyl)-1-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]imidazolidine-2,4-dione
- SMILES
- OCN1C(=O)CN(\N=C\C2=CC=C(O2)[N+]([O-])=O)C1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 7845528
- ChEBI
- 88255
- ChEMBL
- CHEMBL1697763
- ZINC
- ZINC000001482118
- Wikipedia
- Nifurtoinol
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.544 mg/mL ALOGPS logP -0.57 ALOGPS logP -0.58 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 11.84 Chemaxon pKa (Strongest Basic) -2.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 129.49 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 58.11 m3·mol-1 Chemaxon Polarizability 23.68 Å3 Chemaxon Number of Rings 2 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0016-9630000000-e5b5d25d3ebb089d0b53 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]- 169.0691734 predictedDarkChem Lite v0.1.0 [M-H]- 148.8301 predictedDeepCCS 1.0 (2019) [M+H]+ 168.8621734 predictedDarkChem Lite v0.1.0 [M+H]+ 152.09016 predictedDeepCCS 1.0 (2019) [M+Na]+ 169.1253734 predictedDarkChem Lite v0.1.0 [M+Na]+ 160.02211 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54