CELECOXIB CARBOXYLIC ACID
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CELECOXIB CARBOXYLIC ACID
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CAS No:
170571-01-4
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Formula:
C17H12F3N3O4S
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Chemical Name:
CELECOXIB CARBOXYLIC ACID
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Synonyms:
CELECOXIB CARBOXYLIC ACID;4-[5-(4-Carboxyphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl]benzene sulfon amide;Celecoxib Impurity I: Celecoxib Impurity;Carboxylic acid celecoxib;Celecoxib Impurity N;4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid;4-(1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl) benzoic acid;Celecoxib-8
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CAS No:
Characteristics
124
4.68480
1.57±0.1 g/cm3(Predicted)
237-239°C
612.1±65.0 °C(Predicted)
324ºC
1.635
-20°C Freezer
0mmHg at 25°C
3.96±0.10(Predicted)
-20°C Freezer
Drug Information
Carboxy celecoxib has known human metabolites that include (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoyl]oxyoxane-2-carboxylic acid.
SC-62807
CELECOXIB CARBOXYLIC ACID Use and Manufacturing
Celecoxib Carboxylic Acid is a metabolite of Celecoxib (C251000), a Cox-2 inhibitor.
Computed Properties
Molecular Weight:411.4
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:411.05006153
Monoisotopic Mass:411.05006153
Topological Polar Surface Area:124
Heavy Atom Count:28
Complexity:666
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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