Acetyl sulfamethoxypyrazine (CED0029622)

Record Information
Version1.0
Creation Date2026-03-31 21:24:57 UTC
Update Date2026-05-20 19:30:13 UTC
Accession NumberCHEM058004
Identification
Common NameAcetyl sulfamethoxypyrazine
ClassSmall Molecule
Description
Acetyl sulfamethoxypyrazine is an organic compound with the formula C13H14N4O4S1 and an average molecular weight of 322.34 g/mol. Acetyl sulfamethoxypyrazine belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This compound is associated with one recorded source: healthcare, pharmaceuticals & veterinary products, specifically antibiotics. Recorded exposure routes for the substance include inhalation and oral administration.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H14N4O4S1
Average Molecular Mass322.340 g/mol
Monoisotopic Mass322.074 g/mol
CAS Registry Number04-05-90
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=NC=CN=C1N(C(C)=O)S(=O)(=O)C1=CC=C(N)C=C1
InChI IdentifierInChI=1S/C13H14N4O4S/c1-9(18)17(12-13(21-2)16-8-7-15-12)22(19,20)11-5-3-10(14)4-6-11/h3-8H,14H2,1-2H3
InChI KeyGWVCIJWBGGVDJJ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
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
2175.0Log mg/kg[1200:3900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
306AntibioticsHealthcare, pharmaceuticals & veterinary productsNot Available
632ApparelTextiles, leather & furnishingsNot 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
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)571.569
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)347.519
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)491.54
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)387.611
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)405.205
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)562.928
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)508.978
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)351.956
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)538.483
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)127.906
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)459.855
Disintegrin and metalloproteinase domain-containing protein 17 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 17P78536HumansPredicted (SEA)291.779
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)458.532
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)662.108
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)244.758
Click to view 3D structureOrganic anion transporter 3O88909Mus musculusPredicted (SEA)23.5883
Matrilysin structureClick to view 3D structureMatrilysinP09237HumansPredicted (SEA)444.753
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)574.372
Click to view 3D structureMacrophage metalloelastaseP34960Mus musculusPredicted (SEA)71.6213
Matrix metalloproteinase-16 structureClick to view 3D structureMatrix metalloproteinase-16P51512HumansPredicted (SEA)131.409
Click to view 3D structureAGAP002992-PAQ5TU56Anopheles gambiaePredicted (SEA)65.3933
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)161.771
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)203.731
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)507.655
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)371.652
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available