Oxfendazole (CHEM017878)

Record Information
Version1.0
Creation Date2016-05-22 04:42:42 UTC
Update Date2026-08-19 09:33:57 UTC
Accession NumberCHEM017878
Identification
Common NameOxfendazole
ClassSmall Molecule
Description
A member of the class of benzimidazoles that is fenbendazole in which the sulfur has been oxidised to the corresponding sulfoxide.
Contaminant Sources
  • FooDB Chemicals
  • STOFF IDENT Compounds
  • Suspected Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(5-(Phenylsulfinyl)-1H-benzimidazol-2-yl)carbamic acid methyl esterChEBI
5-(Phenylsulfinyl)-2-benzimidazolecarbamic acid methyl esterChEBI
5-Phenylsulfinyl-2-carbomethoxyaminobenzimidazoleChEBI
Fenbendazole S-oxideChEBI
Fenbendazole sulfoxideChEBI
OFDZChEBI
SynanthicKegg
(5-(Phenylsulfinyl)-1H-benzimidazol-2-yl)carbamate methyl esterGenerator
(5-(Phenylsulphinyl)-1H-benzimidazol-2-yl)carbamate methyl esterGenerator
(5-(Phenylsulphinyl)-1H-benzimidazol-2-yl)carbamic acid methyl esterGenerator
5-(Phenylsulfinyl)-2-benzimidazolecarbamate methyl esterGenerator
5-(Phenylsulphinyl)-2-benzimidazolecarbamate methyl esterGenerator
5-(Phenylsulphinyl)-2-benzimidazolecarbamic acid methyl esterGenerator
5-Phenylsulphinyl-2-carbomethoxyaminobenzimidazoleGenerator
Fenbendazole sulphoxideGenerator
BenzelminHMDB
Methyl (5-phenylsulfinyl)-1H-benzimidazol-2-yl carbamateHMDB
Methyl 5(6)-phenylsulfinyl-2-benzimidazolecarbamateHMDB
Methyl 5-(phenylsulfinyl)-2-benzimidazolecarbamateHMDB
Methyl 5-(phenylsulfinyl)-benzimidazol-2-carbamateHMDB
Methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamateHMDB
Methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate, 9ciHMDB
NanthicHMDB
OxfendazolHMDB
OxfendazolumHMDB
RepidoseHMDB
RS 8858HMDB
Synanthic (veterinary)HMDB
SystamexHMDB
SystemaxHMDB
FBZ-SOHMDB
Oxfendazole monohydrochlorideHMDB
Chemical FormulaC15H13N3O3S
Average Molecular Mass315.347 g/mol
Monoisotopic Mass315.068 g/mol
CAS Registry Number53716-50-0
IUPAC Namemethyl N-[5-(benzenesulfinyl)-1H-1,3-benzodiazol-2-yl]carbamate
Traditional Nameoxfendazole
SMILESCOC(=O)NC1=NC2=CC(=CC=C2N1)S(=O)C1=CC=CC=C1
InChI IdentifierInChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChI KeyBEZZFPOZAYTVHN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzimidazoles
Sub ClassNot Available
Direct ParentBenzimidazoles
Alternative Parents
Substituents
  • Phenyl sulfoxide
  • Benzimidazole
  • Monocyclic benzene moiety
  • Benzenoid
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Sulfoxide
  • Azacycle
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Sulfinyl compound
  • Carboximidic acid derivative
  • Organopnictogen compound
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.39 g/LALOGPS
logP2.16ALOGPS
logP2.62ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)9.26ChemAxon
pKa (Strongest Basic)3.57ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area84.08 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity84.98 m³·mol⁻¹ChemAxon
Polarizability32.4 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDDB11446
HMDB IDHMDB0031812
FooDB IDFDB008486
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkOxfendazole
Chemspider ID37316
ChEBI ID35812
PubChem Compound ID40854
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.