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FR-188582

CAS No.:
189699-82-9
Catalog Number:
AG01EOKW
Molecular Formula:
C16H13ClN2O2S
Molecular Weight:
332.8046
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$557
- +
Product Description
Catalog Number:
AG01EOKW
Chemical Name:
FR-188582
CAS Number:
189699-82-9
Molecular Formula:
C16H13ClN2O2S
Molecular Weight:
332.8046
MDL Number:
MFCD31544384
IUPAC Name:
3-chloro-5-(4-methylsulfonylphenyl)-1-phenylpyrazole
InChI:
InChI=1S/C16H13ClN2O2S/c1-22(20,21)14-9-7-12(8-10-14)15-11-16(17)18-19(15)13-5-3-2-4-6-13/h2-11H,1H3
InChI Key:
YKHNOHGHDAQJFW-UHFFFAOYSA-N
SMILES:
Clc1nn(c(c1)c1ccc(cc1)S(=O)(=O)C)c1ccccc1
UNII:
49893L163S
Properties
Complexity:
465  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.039g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.802g/mol
Monoisotopic Mass:
332.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Effects of intravenous administration of FR122047 (a selective cyclooxygenase 1 inhibitor) and FR188582 (a selective cyclooxygenase 2 inhibitor) on prostaglandin-E2-induced aqueous flare elevation in pigmented rabbits. Ophthalmic research 20040101
The anti-inflammatory effect of FR188582, a highly selective inhibitor of cyclooxygenase-2, with an ulcerogenic sparing effect in rats. Japanese journal of pharmacology 20010201
Properties