Deracoxib
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Deracoxib
structure -
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CAS No:
169590-41-4
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Formula:
C17H14F3N3O3S
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Chemical Name:
Deracoxib
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Synonyms:
Benzenesulfonamide,4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]-;4-[3-(Difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide;SC 59046;Deracoxib;SC 46;SC 046;4-[5-(3-Fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide;Deramaxx;Deram
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Categories:
Active Pharmaceutical Ingredients > Veterinary Raw Materials
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CAS No:
Description
ChEBI: A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3, and 5 by 4-sulfamoylphenyl, difluoromethyl and 3-fluoro-4-methoxyphenyl groups, respectively. A selective cyclooxygenase 2 inhibitor, it is us d in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs.
Deracoxib is a member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3, and 5 by 4-sulfamoylphenyl, difluoromethyl and 3-fluoro-4-methoxyphenyl groups, respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs. It has a role as a cyclooxygenase 2 inhibitor, a non-steroidal anti-inflammatory drug and a non-narcotic analgesic. It is a member of pyrazoles, an organofluorine compound and a sulfonamide.|Deracoxib is a non-steroidal anti-inflammatory drug of the coxib class, used in veterinary medicine to treat osteoarthritis in dogs. It is sold in tablets, which have added beefy flavour to increase palatability. Deramaxx received FDA approval in August 2002 for "the control of post operative pain and inflammation associated with orthopedic surgery in dogs.
Characteristics
95.6
2.8
1.48
159-161°
575.5±60.0 °C(Predicted)
301.9±32.9 °C
1.610
3E-13mmHg at 25°C
189.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide
Deracoxib Use and Manufacturing
Dissolve 7.0 g (28.4 mmol) of 4, 4-difluoro-1-(3-fluoro-4-methoxyphenyl)-1, 3-butanedione in 150 ml of ethanol and add 7.4 g (33 mmol) of 4 The sulfonamide phenylhydrazine hydrochloride was stirred under reflux for 16 hours. The reaction solution was allowed to cool, and water was added until the crystal slowly precipitated. The product was dried by suction and dried to give a pale yellow product. Yield 87percent.4, 4-Difluoro-1-(3-fluoro-4-methoxyphenyl)-butane-1, 3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenyl hydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87percent): mp 159-161 °C. Anal. Calc'd. for C17H14N3SO3F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.
Deracoxib is a non-steroidal anti-inflammatory drug (NSAID) of the coxib class. Deracoxin is a selective cyclooxygenase-2 (COX-2) inhibitor used in the treatment of osteoarthritis in dogs. At low doses, adminsitartion of Deracoxin showed no factors associated with gastrointestinal tract perforation.
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Computed Properties
Molecular Weight:397.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:397.07079698
Monoisotopic Mass:397.07079698
Topological Polar Surface Area:95.6
Heavy Atom Count:27
Complexity:596
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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