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Basic information
- CAS
54029-20-8- Standard SMILES
COC(=O)Nc1nc2ccc(S(=O)(=O)c3ccccc3)cc2[nH]1- InChIKey
UAFDGCOOJPIAHN-UHFFFAOYSA-N- Molecular formula
- C15H13N3O4S
- Average molar mass
- 331.353 g/mol
- Monoisotopic mass
- 331.0626769
Names & identifiers
- Preferred name
- Oxfendazole sulfone
- IUPAC
- Methyl hydrogen [6-(benzenesulfonyl)-1H-benzimidazol-2-yl]carbonimidate
- English name
- Fenbendazole sulfone
- Molecular formula
- C15H13N3O4S
- Molecular weight
- 331.35
Names & synonyms
oxfendazole sulfoneHOE 5151FENBENDAZOLE SULFONEOXFENDAZOLE EP IMP BOxfendazole EP Impurity BOxfendazole Sulfone StandardC15783010 Oxfendazole-sulfoneFenbendazole sulfone solution,100ppmFenbendazole-sulfone 100 μg/ml MethanolOxfendazole EP Impurity B (Fenbendazole Sulfone)
Database identifiers
- CAS
54029-20-8- PubChem CID
- 162136
- DTXSID
DTXSID20968870- UNII
- FQM8UA6SPQ
- EC Number
- 632-641-2
- Nikkaji
- J479.891K
Properties
Physicochemical properties
- Melting point
- 300 °C · >300°C
- Density
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml
- pka
- 10.14 · 10.14±0.10(Predicted)
- BRN
- 703211 · 703211
- Major Application
- clinical testing
- InChI
- 1S/C15H13N3O4S/c1-22-15(19)18-14-16-12-8-7-11(9-13(12)17-14)23(20,21)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
- InChIKey
- UAFDGCOOJPIAHN-UHFFFAOYSA-N
- SMILES
- COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)(=O)c3ccccc3
- CAS DataBase Reference
- 54029 · 54029-20-8
- FDA UNII
- 8 UA6SPQ · FQM8UA6SPQ
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H410
- Precautionary statements
- 261 · P261-P264-P273-P280-P301+P312-P302+P352
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-38
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- risk_code
- 22-38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn
- safety_code
- 22-24/25
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H315-H317-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P264-P273-P280-P301+P312-P302+P352
Chemistry & industry
Applications
DescriptionFenbendazole sulfone is a minor metabolite of the anthelmintic fenbendazole[1]. Fenbendazole undergoes oxidation to form oxfendazole, which is further oxidized to form fenbendazole sulfone.
UsesA metabolite of Fenbendazole (F246750).
Suppliers46 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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