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Nifurpirinol

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

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Identification

Generic Name
Nifurpirinol
DrugBank Accession Number
DB11436
Background

Not Available

Type
Small Molecule
Groups
Experimental, Vet approved
Structure
3D
Similar Structures
Weight
Average: 246.222
Monoisotopic: 246.06405681
Chemical Formula
C12H10N2O4
Synonyms
  • Furpyrinol
  • Nifurpirinol
  • Nifurpirinolum
External IDs
  • NF 323
  • P 7138
  • P-7138
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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
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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

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International/Other Brands
Furanace (veterinary)

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as nitrofurans. These are compounds containing a furan ring which bears a nitro group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Furans
Sub Class
Nitrofurans
Direct Parent
Nitrofurans
Alternative Parents
Nitroaromatic compounds / Pyridines and derivatives / Heteroaromatic compounds / Propargyl-type 1,3-dipolar organic compounds / Oxacyclic compounds / Organic oxoazanium compounds / Azacyclic compounds / Primary alcohols / Organopnictogen compounds / Organonitrogen compounds
show 4 more
Substituents
2-nitrofuran / Alcohol / Allyl-type 1,3-dipolar organic compound / Aromatic alcohol / Aromatic heteromonocyclic compound / Azacycle / C-nitro compound / Heteroaromatic compound / Hydrocarbon derivative / Nitroaromatic compound
show 14 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7O5A98XY8U
CAS number
13411-16-0
InChI Key
JQKHJQJVKRFMCO-SNAWJCMRSA-N
InChI
InChI=1S/C12H10N2O4/c15-8-10-3-1-2-9(13-10)4-5-11-6-7-12(18-11)14(16)17/h1-7,15H,8H2/b5-4+
IUPAC Name
{6-[(1E)-2-(5-nitrofuran-2-yl)ethenyl]pyridin-2-yl}methanol
SMILES
[H]\C(=C(\[H])C1=NC(CO)=CC=C1)C1=CC=C(O1)[N+]([O-])=O

References

General References
  1. Nakamura Y, Fukushima H, Tomita I, Kimura I: Mutagenicity of nifurpirinol (P-7138) in Escherichia coli WP2 and Salmonella typhimurium TA100. Mutat Res. 1982 Apr;104(1-3):61-6. [Article]
  2. Takase Y, Nakamura S, Ishiyama M, Shimizu M: Inhibition of the synthesis of macromolecules in Escherichia coli by nitrofuran derivatives. 3. Nifurpirinol. Chem Pharm Bull (Tokyo). 1973 Jan;21(1):144-8. [Article]
  3. Tamse CT, Gacutan RQ: Acute toxicity of nifurpirinol, a fish chemotherapeutant, to milkfish (Chanos chanos) fingerlings. Bull Environ Contam Toxicol. 1994 Mar;52(3):346-50. [Article]
  4. Tamse CT, Gacutan RQ, Tamse AF: Changes induced in the gills of milkfish (Chanos chanos Forsskal) fingerlings after acute exposure to nifurpirinol (Furanace; P-7138). Bull Environ Contam Toxicol. 1995 Apr;54(4):591-6. [Article]
  5. MacMillan JR, Schnick RA, Fornshell G: Stakeholder position paper: aquaculture producer. Prev Vet Med. 2006 Feb 24;73(2-3):197-202. Epub 2005 Nov 9. [Article]
  6. Kimura I, Kinae N, Kumai H, Yamashita M, Nakamura G, Ando M, Ishida H, Tomita I: Environment: peculiar pigment cell neoplasm in fish. J Invest Dermatol. 1989 May;92(5 Suppl):248S-254S. [Article]
  7. Ferguson HW, Moccia RD: Disseminated hexamitiasis in Siamese fighting fish. J Am Vet Med Assoc. 1980 Nov 1;177(9):854-7. [Article]
  8. Kimura I, Taniguchi N, Kumai H, Tomita I, Kinae N, Yoshizaki K, Ito M, Ishikawa T: Correlation of epizootiological observations with experimental data: chemical induction of chromatophoromas in the croaker, Nibea mitsukurii. Natl Cancer Inst Monogr. 1984 May;65:139-54. [Article]
  9. Declercq AM, Haesebrouck F, Van den Broeck W, Bossier P, Decostere A: Columnaris disease in fish: a review with emphasis on bacterium-host interactions. Vet Res. 2013 Apr 24;44:27. doi: 10.1186/1297-9716-44-27. [Article]
  10. Nose N, Hoshino Y, Kikuchi Y, Horie M, Saitoh K, Kawachi T, Nakazawa H: Simultaneous liquid chromatographic determination of residual synthetic antibacterials in cultured fish. J Assoc Off Anal Chem. 1987 Jul-Aug;70(4):714-7. [Article]
KEGG Drug
D02513
ChemSpider
4940737
ChEBI
135000
ChEMBL
CHEMBL2104627
ZINC
ZINC000004217117

Clinical Trials

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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 Solubility0.0919 mg/mLALOGPS
logP1.9ALOGPS
logP1.73Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)14.22Chemaxon
pKa (Strongest Basic)4.16Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area89.4 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity63.17 m3·mol-1Chemaxon
Polarizability24.53 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-MSsplash10-004m-0960000000-8cc4e62c4cce894f839b
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]-174.2995704
predicted
DarkChem Lite v0.1.0
[M-H]-164.33534
predicted
DeepCCS 1.0 (2019)
[M+H]+174.1288704
predicted
DarkChem Lite v0.1.0
[M+H]+166.69371
predicted
DeepCCS 1.0 (2019)
[M+Na]+174.1705704
predicted
DarkChem Lite v0.1.0
[M+Na]+173.0694
predicted
DeepCCS 1.0 (2019)

Drug created at February 25, 2016 18:46 / Updated at February 21, 2021 18:53