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Parecoxib

CAT: 0572-TRC-P193245-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P193245-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
198470-84-7
Synonyms
Propanamide, N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-; N-[[4-(5-Methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]propanamide; Parecoxib; SC 69124; Valus-P; Vorth-P
Hazard Statement
Suspected of damaging fertility or the unborn child.
Smiles
CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(C)onc2c3ccccc3
Molecular Formula
C19 H18 N2 O4 S
Molecular Weight
370.42
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)
Additionnal Information
IUPAC name: N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Parecoxib

Parecoxib is an N-acylsulfonamide resulting from the formal condensation of valdecoxib with propionic acid. It is a prodrug for valdecoxib. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a prodrug and a cyclooxygenase 2 inhibitor. It is a member of isoxazoles and a N-sulfonylcarboxamide. It is functionally related to a valdecoxib.

CAS Number198470-84-7
PubChem CID119828
IUPAC NameN-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
Molecular FormulaC19H18N2O4S
Molecular Weight370.4
XLogP3.3
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity575
SMILES
CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C
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
Chemical Structure
2D Structure
2D structure of Parecoxib
CAS: 198470-84-7
CID: 119828
Formula: C19H18N2O4S
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass370.09872823
Monoisotopic Mass370.09872823
Topological Polar Surface Area97.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-17474-01Parecoxib
HY-17474S1Parecoxib-d5
019127-01Parecoxib Sodium
A13572-500Parecoxib 500mg

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