Fumoxicillin (CED0184788)

Record Information
Version1.0
Creation Date2026-03-31 20:44:50 UTC
Update Date2026-04-15 17:26:50 UTC
Accession NumberCHEM057828
Identification
Common NameFumoxicillin
ClassSmall Molecule
Description
Fumoxicillin is an organic compound with the formula C21H21N3O6S1 and an average molecular weight of 443.47 g/mol. Fumoxicillin belongs to the beta lactams, a subclass of lactams within the organic compounds. It is further classified as an organoheterocyclic compound. This substance is found in or released from healthcare, pharmaceuticals & veterinary products, specifically antibiotics. Recorded exposure routes for fumoxicillin include oral and inhalation.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H21N3O6S1
Average Molecular Mass443.470 g/mol
Monoisotopic Mass443.115 g/mol
CAS Registry Number78186-33-1
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=CC1=CC=CO1)C1=CC=C(O)C=C1)C(O)=O
InChI IdentifierInChI=1S/C21H21N3O6S/c1-21(2)16(20(28)29)24-18(27)15(19(24)31-21)23-17(26)14(11-5-7-12(25)8-6-11)22-10-13-4-3-9-30-13/h3-10,14-16,19,25H,1-2H3,(H,23,26)(H,28,29)/t14-,15-,16+,19-/m1/s1
InChI KeyBWENFVHXWNVVGN-OAFZBRQQSA-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
6152.0Log mg/kg[3500:11000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
306AntibioticsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureBeta-lactamase ACC-4A4ZYU9Escherichia coliPredicted (SEA)0.622794
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)547.514
Protein Tat structureClick to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)135.302
Click to view 3D structureEfflux transporterQ3S5C3Salmonella newportPredicted (SEA)0.622794
Click to view 3D structureClass C beta-lactamase CMY-36Q48435Klebsiella pneumoniaePredicted (SEA)0.622794
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)639.765
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)1476.57
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)549.226
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP00811Escherichia coli (strain K12)Predicted (SEA)11.8331
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)746.885
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)901.027
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 structureClick to view 3D structureCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1Q9GZU7HumansPredicted (SEA)705.08
Click to view 3D structureSolute carrier family 22 member 6Q4U2R8HumansPredicted (SEA)47.3323
Click to view 3D structureOrganic anion transporter 3Q8TCC7HumansPredicted (SEA)18.4503
Click to view 3D structureIntestinal-type alkaline phosphataseP24822Mus musculusPredicted (SEA)142.464
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)1129.67
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)3483.29
PER-2 beta-lactamase structureClick to view 3D structurePER-2 beta-lactamaseA2RP81Citrobacter freundiiPredicted (SEA)0.856341
Beta-lactamase TEM structureClick to view 3D structureBeta-lactamase TEMP62593Escherichia coliPredicted (SEA)3.50322
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)1130.99
Large T antigen structureClick to view 3D structureLarge T antigenP03070Simian virus 40Predicted (SEA)389.013
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)861.09
Click to view 3D structureProcathepsin LP07154Rattus norvegicusPredicted (SEA)218.678
Speckle-type POZ protein structureClick to view 3D structureSpeckle-type POZ proteinO43791HumansPredicted (SEA)52.7818
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)1632.5
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available