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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:52:43 UTC
Update Date2019-07-23 06:12:07 UTC
HMDB IDHMDB0032927
Secondary Accession Numbers
  • HMDB32927
Metabolite Identification
Common NameQuindoxin
DescriptionQuindoxin, also known as grofas or ici-8173quindoxin, belongs to the class of organic compounds known as quinoxalines. Quinoxalines are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring. Quindoxin is an extremely weak basic (essentially neutral) compound (based on its pKa). Quindoxin is a growth promoter for pigs and poultry.
Structure
Data?1563862327
Synonyms
ValueSource
ICI-8173quindoxinHMDB
1,4-DihydroxyquinoxalineHMDB
Bayo N-oxHMDB
CelbarHMDB
ChindoxinHMDB
Chinoxalin-1,4-dioxidHMDB
GrofasHMDB
ICI 8173HMDB
Quindoxin, ban, innHMDB
QuindoxinaHMDB
QuindoxineHMDB
QuindoxinumHMDB
Quinoxaline 1, 4-di-N-oxideHMDB
Quinoxaline 1,4-di-N-oxideHMDB
Quinoxaline 1,4-dioxideHMDB
Quinoxaline di-N-oxideHMDB
Quinoxaline dioxideHMDB
Quinoxaline, 1,4-dioxideHMDB
Quinoxaline-1,4-dioxide copper(II) saltHMDB
Quinoxaline-di-N-oxideHMDB
RD 2579HMDB
Quindoxin ion (1+)MeSH
Quindoxin ion (1-)MeSH
Quindoxin hydrideMeSH
QuindoxinMeSH
Chemical FormulaC8H6N2O2
Average Molecular Weight162.1454
Monoisotopic Molecular Weight162.042927446
IUPAC Name1λ⁵,4λ⁵-quinoxaline-1,4-dione
Traditional Namequindoxin
CAS Registry Number2423-66-7
SMILES
O=N1=CC=N(=O)C2=CC=CC=C12
InChI Identifier
InChI=1S/C8H6N2O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChI KeyCKIHZSGJPSDCNC-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as quinoxalines. Quinoxalines are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazanaphthalenes
Sub ClassBenzodiazines
Direct ParentQuinoxalines
Alternative Parents
Substituents
  • Quinoxaline
  • Benzenoid
  • Pyrazinium
  • Pyrazine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Source:

Biological location:

Role

Biological role:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point241 - 243 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility2.36 g/LALOGPS
logP-0.59ALOGPS
logP-0.9ChemAxon
logS-1.8ALOGPS
pKa (Strongest Basic)-1.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area50.92 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity45.27 m³·mol⁻¹ChemAxon
Polarizability15.01 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-2900000000-bddeec849894a676c6f6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-4558ef99c73f0865aff5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-72c7bcaae76af6a4a592Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001u-9400000000-2883d4ba293251dc7e0aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-d4fd89dd4dfddad5358dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0900000000-14005470683f643c83abSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-08fr-4900000000-a1edb274265eeebce5a3Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB010912
KNApSAcK IDNot Available
Chemspider ID65059
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound72073
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .