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Parecoxib sodium impurity 10

CAT: 0804-HY-W038820-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W038820-01Size:10 mg
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Description
Parecoxib sodium impurity 10 is an impurity of Parecoxib sodium.
CAS Number
198471-06-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
97.0
Smiles
CC(NS(=O)(C1=CC=C(C2=C(C)ON=C2C3=CC=CC=C3)C=C1)=O)=O
Molecular Formula
C18H16N2O4S
Molecular Weight
356.40
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)acetamide
CAS Number198471-06-6
PubChem CID10833494
IUPAC NameN-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide
Molecular FormulaC18H16N2O4S
Molecular Weight356.4
XLogP2.8
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity560
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)C
InChI
InChI=1S/C18H16N2O4S/c1-12-17(18(19-24-12)15-6-4-3-5-7-15)14-8-10-16(11-9-14)25(22,23)20-13(2)21/h3-11H,1-2H3,(H,20,21)
InChIKey
UMBILIGVYYXBRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)acetamide
CAS: 198471-06-6
CID: 10833494
Formula: C18H16N2O4S
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass356.08307817
Monoisotopic Mass356.08307817
Topological Polar Surface Area97.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity560
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

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