Pyrazofurin (CED0012855)

Record Information
Version1.0
Creation Date2026-03-31 20:49:36 UTC
Update Date2026-08-25 11:41:15 UTC
Accession NumberCHEM057875
Identification
Common NamePyrazofurin
ClassSmall Molecule
Description
Pyrazofurin is an organic compound with the formula C9H13N3O6 and an average molecular weight of 259.22 g/mol. Pyrazofurin belongs to the 3-ribofuranosylpyrazoles, a subclass of nucleoside and nucleotide analogues within the organic compounds. This substance is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically antibiotics. Recorded exposure routes for the compound include inhalation and oral administration.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
PirazofurinKegg
Chemical FormulaC9H13N3O6
Average Molecular Mass259.218 g/mol
Monoisotopic Mass259.080 g/mol
CAS Registry Number30868-30-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESNC(=O)C1=C(O)C(=NN1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI IdentifierInChI=1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1-13)18-8/h2,5,7-8,13-16H,1H2,(H2,10,17)(H,11,12)/t2-,5-,7-,8+/m1/s1
InChI KeyXESARGFCSKSFID-FLLFQEBCSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 3-ribofuranosylpyrazoles. These are nucleoside and nucleotide analogs with a structure that consists of a pyrazole ring system which is N-substituted at the 3-position with a ribose moiety. Nucleotide analogues contain a phosphate group linked to the C5 carbon atom of the furanose.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassNucleoside and nucleotide analogues
Sub Class3-ribofuranosylpyrazoles
Direct Parent3-ribofuranosylpyrazoles
Alternative Parents
Substituents
  • 3-ribofuranosylpyrazole
  • C-glycosyl compound
  • Glycosyl compound
  • Pentose monosaccharide
  • 2-heteroaryl carboxamide
  • Pyrazole-5-carboxamide
  • Monosaccharide
  • Azole
  • Heteroaromatic compound
  • Pyrazole
  • Vinylogous acid
  • Tetrahydrofuran
  • Carboxamide group
  • Primary carboxylic acid amide
  • Secondary alcohol
  • Carboxylic acid derivative
  • Dialkyl ether
  • Ether
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxygen compound
  • Primary alcohol
  • Organopnictogen compound
  • Alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2798.0Log mg/kg[1600:5000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
233BrushesPersonal care & cosmeticsNot Available
306AntibioticsHealthcare, pharmaceuticals & veterinary productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
632ApparelTextiles, leather & furnishingsNot Available
685CeramicsBuilding & ConstructionNot Available
696NanotechnologyIndustrial manufacturing & chemical processingNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Orotidine 5'-phosphate decarboxylase structureClick to view 3D structureOrotidine 5'-phosphate decarboxylaseO26232Methanobacterium thermoautotrophicumPredicted (SEA)0.0778492
Uridine 5'-monophosphate synthase structureClick to view 3D structureUridine 5'-monophosphate synthaseP11172HumansPredicted (SEA)0.0778492
Orotidine 5'-phosphate decarboxylase structureClick to view 3D structureOrotidine 5'-phosphate decarboxylaseP03962Saccharomyces cerevisiae S288cPredicted (SEA)1.24559
AMP deaminase structureClick to view 3D structureAMP deaminaseO80452Arabidopsis thalianaPredicted (SEA)0.467095
Oligo-1,6-glucosidase IMA1 structureClick to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)6.61718
Cytidine deaminase structureClick to view 3D structureCytidine deaminaseP56389Mus musculusPredicted (SEA)9.57545
Cytidine deaminase structureClick to view 3D structureCytidine deaminaseP32320HumansPredicted (SEA)6.77288
Lectin structureClick to view 3D structureLectinB4EH87Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))Predicted (SEA)6.07224
Type 1 fimbrin D-mannose specific adhesin structureClick to view 3D structureType 1 fimbrin D-mannose specific adhesinP08191Escherichia coli K-12Predicted (SEA)7.23998
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)318.715
Adenosine kinase structureClick to view 3D structureAdenosine kinaseP55263HumansPredicted (SEA)47.0209
Solute carrier family 28 member 3 structureClick to view 3D structureSolute carrier family 28 member 3Q9HAS3HumansPredicted (SEA)20.4743
Adenosine deaminase structureClick to view 3D structureAdenosine deaminaseP56658Bos taurusPredicted (SEA)30.5947
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)382.162
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)812.746
Click to view 3D structureAdenosine kinaseA5U4N0Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)Predicted (SEA)32.4631
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)598.038
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)995.847
Click to view 3D structureAMP deaminase 1P81072Oryctolagus cuniculusPredicted (SEA)15.6477
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)911.303
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)377.491
Click to view 3D structureKiller cell lectin-like receptor subfamily B member 1AP27471Rattus norvegicusPredicted (SEA)3.11397
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)1133.17
Click to view 3D structureAdenosine receptor A3P28647Rattus norvegicusPredicted (SEA)142.775
Sodium/glucose cotransporter 2 structureClick to view 3D structureSodium/glucose cotransporter 2P31639HumansPredicted (SEA)19.3066
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID35595
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References