Molecular Structure of Oxfendazole (CAS NO.53716-50-0):
IUPAC Name: methyl N-[6-(Benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate
Canonical SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3
InChI: InChI=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)
InChIKey: BEZZFPOZAYTVHN-UHFFFAOYSA-N
Molecular Weight: 315.34702 [g/mol]
Molecular Formula: C15H13N3O3S
XLogP3: 2.3
H-Bond Donor: 2
H-Bond Acceptor: 4
EINECS: 258-714-5
Product Categories: Metabolites; Veterinaries
storage temp.: 2-8 °C
Appearance: white to yellowish powder
Melting Point: 253 °C
Index of Refraction: 1.735
Molar Refractivity: 84.37 cm3
Molar Volume: 210.1 cm3
Surface Tension: 88.4 dyne/cm
Density: 1.5 g/cm3
Classification Code: Anthelmintic; Anthelmintics; Anti-Infective Agents; Antinematodal agents; Antiparasitic Agents; Drug / Therapeutic Agent; Mutation data; Reproductive Effect
Oxfendazole (CAS NO.53716-50-0) is used as a metabolite of Fenbendazole.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | unreported | > 1600mg/kg (1600mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 1164, 1975. | |
mouse | LD50 | unreported | > 6400mg/kg (6400mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 1164, 1975. | |
rat | LD50 | unreported | > 6400mg/kg (6400mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 1164, 1975. |
Safety Information of Oxfendazole (CAS NO.53716-50-0):
WGK Germany: 3
RTECS: FD0835000
Oxfendazole (CAS NO.53716-50-0), its Synonyms are (5-(Phenylsulfinyl)-1H-benzimidazol-2-yl)carbamic acid methyl ester ; 2-Benzimidazolecarbamic acid, 5-(phenylsulfinyl)-, methyl ester ; 5-(Phenylsulfinyl)-2-benzimidazolecarbamic acid methyl ester ; 5-Phenylsulfinyl-2-carbomethoxyaminobenzimidazole ; Carbamic acid, (5-(phenylsulfinyl)-1H-benzimidazol-2-yl)-, methyl ester ; Carbamic acid, 5-(phenylsulfinyl)-1H-benzimidazol-2-yl-, methyl ester ; Methyl (5-phenylsulfinyl)-1H-benzimidazol-2-yl carbamate ; Methyl 5-(phenylsulfinyl)-2-benzimidazolecarbamate ; Repidose ; Synanthic .
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