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ValdecoxibIMpurityF

ValdecoxibIMpurityF structure

CAS No:
509074-26-4
Formula:
C16H12ClNO3S
Chemical Name:
ValdecoxibIMpurityF
Synonyms:
Parecoxib impurity 3/Valdecoxib Sulfonyl Chloride/4-(5-Methyl-3-phenylisoxazol-4-yl)benzene-1-sulfonyl chloride;Parecoxib Sodium-5;PARECOXIB SODIUM-5;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonyl chloride;Parecoxib impurity D: 4-benzene ring-4-sulfonyl chloride;Valdecoxib Impurity 6;Valdecoxib IMpurity F;Valdecoxib Sulfonyl Chloride

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ValdecoxibIMpurityF Basic Attributes

Molecular Weight：

333.79

Exact Mass：

333.0226421

DSSTox ID：

DTXSID80432269

Characteristics

PSA：

68.55000

XLogP3：

5.32530

Density：

1.340±0.06 g/cm3

Boiling Point：

440.6±45.0 °C(Predicted)

PKA：

-3.74±0.50

ValdecoxibIMpurityF Use and Manufacturing

Valdecoxib Sulfonyl Chloride is an impurity in the preparation of the cyclooxygenase-2 inhibitor, Valdecoxib (V090000) and its metabolites.

Computed Properties

Molecular Weight:333.8
XLogP3:4.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:333.0226421
Monoisotopic Mass:333.0226421
Topological Polar Surface Area:68.6
Heavy Atom Count:22
Complexity:464
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ValdecoxibIMpurityF

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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