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198470-84-7

Name Parecoxib
CAS 198470-84-7
EINECS(EC#) 803-261-6
Molecular Formula C19H18N2O4S
MDL Number MFCD08141856
Molecular Weight 370.42
MOL File 198470-84-7.mol

Chemical Properties

Melting point  148.9-151°
density  1.264
storage temp.  Sealed in dry,2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  neat
pka 5.08±0.10(Predicted)
color  White to off-white
BRN  8640266
InChI InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)
InChIKey TZRHLKRLEZJVIJ-UHFFFAOYSA-N
SMILES C(NS(C1=CC=C(C2=C(C)ON=C2C2=CC=CC=C2)C=C1)(=O)=O)(=O)CC

Safety Data

Hazard Codes  Xn,N
Risk Statements 
Safety Statements 
WGK Germany  3
RTECS  TX1478700

Hazard Information

Spectrum Detail

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