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Basic information
- CAS
90509-02-7- Standard SMILES
COC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2[nH]1- InChIKey
ZVIDWFUBDDXAJA-UHFFFAOYSA-N- Molecular formula
- C15H12FN3O5S
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 365.04816983
Names & identifiers
- Preferred name
- Luxabendazole
- IUPAC
- [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-fluorobenzenesulfonate
- English name
- Luxabendazole
- Molecular formula
- C15H12FN3O5S
- Molecular weight
- 365.34
Names & synonyms
Luxabendazole90509-02-7LuxabendazolumLuxabendazolHOE 216VHOE-216V34S1S00GV3DTXSID00238189methyl 5-(4-fluorophenylsulfonyloxy)benzimidazole-2-carbamateRefChem:154437DTXCID70160680Methyl 5-hydroxy-2-benzimidazolecarbamate, p-fluorobenzenesulfonate (ester)
Show more names
methyl 5-hydroxy-2-benzimidazolecarbamate p-fluorobenzenesulfonatemethyl N-[5-(4-fluorophenyl)sulfonyloxy-3H-benzoimidazol-2-yl]carbamate2-[(Methoxycarbonyl)amino]-1H-benzimidazol-5-yl 4-fluorobenzenesulfonate4-Fluorobenzenesulfonic acid 2-[(methoxycarbonyl)amino]-1H-benzimidazol-5-yl esterBenzenesulfonic acid, 4-fluoro-, 2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl ester
[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-fluorobenzenesulfonateLuxabendazol [Spanish]Luxabendazolum [Latin]CCRIS 7645Luxabendazole [INN:BAN]UNII-34S1S00GV3Benzenesulfonic acid, 4-fluoro-, 2-[(methoxycarbonyl)amino]-1H-benzimidazol-5-yl ester (9CI); Dabendazole; HOE 216V; Luxabendazole; Benzenesulfonic acid, 4-fluoro-, 2-[(methoxycarbonyl)amino]-1H-benzimidazol-6-yl esterLUXABENDAZOLE [INN]
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 576
Physicochemical properties
- Density
- 1.571 · 1.571±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.03 · 10.03±0.10(Predicted)
- BRN
- 14661245 · 14661245
- FDA UNII
- 34 S1S00GV3 · 34S1S00GV3
- 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
- wgk
- 3
Chemistry & industry
Applications
UsesLuxabendazole is a new benzimidazole carbamate chemotherapeutic agent, proven to be very effective against adult and immature stages of the major gastrointestinal nematodes, trematodes and cestodes.
Suppliers21 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
南京罗迈美生物科技有限公司
Related reactions
2 records
Compound notes
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