NAV

Nifurzide

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

Identification

Generic Name
Nifurzide
DrugBank Accession Number
DB13325
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 336.28
Monoisotopic: 336.016455168
Chemical Formula
C12H8N4O6S
Synonyms
  • Nifurzide
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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

ATC Codes
A07AX04 — Nifurzide
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Thiophenes
Sub Class
Nitrothiophenes
Direct Parent
2-nitrothiophenes
Alternative Parents
Thiophene carboxamides / Nitrofurans / Nitroaromatic compounds / 2,5-disubstituted thiophenes / Heteroaromatic compounds / Propargyl-type 1,3-dipolar organic compounds / Oxacyclic compounds / Organic oxoazanium compounds / Carboxylic acids and derivatives / Organooxygen compounds
show 5 more
Substituents
2,5-disubstituted thiophene / 2-nitrofuran / 2-nitrothiophene / Allyl-type 1,3-dipolar organic compound / Aromatic heteromonocyclic compound / C-nitro compound / Carboxylic acid derivative / Furan / Heteroaromatic compound / Hydrocarbon derivative
show 15 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Z35R6K4C26
CAS number
39978-42-2
InChI Key
IDUMOVRJNBNOTR-BIZLIJPVSA-N
InChI
InChI=1S/C12H8N4O6S/c17-12(9-4-6-11(23-9)16(20)21)14-13-7-1-2-8-3-5-10(22-8)15(18)19/h1-7H,(H,14,17)/b2-1+,13-7+
IUPAC Name
5-nitro-N'-[(1E,2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]thiophene-2-carbohydrazide
SMILES
[O-][N+](=O)C1=CC=C(O1)\C=C\C=N\NC(=O)C1=CC=C(S1)[N+]([O-])=O

References

General References
Not Available
ChemSpider
7845510
RxNav
31786
ChEBI
135428
ChEMBL
CHEMBL2106530
ZINC
ZINC000001542910
Wikipedia
Nifurzide

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 Solubility0.0188 mg/mLALOGPS
logP3.28ALOGPS
logP2.36Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)8.87Chemaxon
pKa (Strongest Basic)0.27Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area140.88 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity78.06 m3·mol-1Chemaxon
Polarizability29.89 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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-MSsplash10-0929-2391000000-a991c2b2b8cb54d8b4ea
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]-163.97298
predicted
DeepCCS 1.0 (2019)
[M+H]+166.33138
predicted
DeepCCS 1.0 (2019)
[M+Na]+172.42453
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:39 / Updated at February 21, 2021 18:54