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Pirprofen

CAT: 0931-T69458-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69458-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31793-07-4
Target
Others
Related Pathways
Others
Bioactivity
Pirprofen is an anti-inflammatory agent used in therapy of rheumatoid arthritis and a prostaglandin synthetase inhibitor.
Smiles
ClC1=C(C=CC(C(C(O)=O)C)=C1)N2CC=CC2
Molecular Formula
C13H14ClNO2
Molecular Weight
251.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pirprofen

Pirprofen is a pyrroline.

CAS Number31793-07-4
PubChem CID35935
IUPAC Name2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid
Molecular FormulaC13H14ClNO2
Molecular Weight251.71
XLogP2.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity311
SMILES
CC(C1=CC(=C(C=C1)N2CC=CC2)Cl)C(=O)O
InChI
InChI=1S/C13H14ClNO2/c1-9(13(16)17)10-4-5-12(11(14)8-10)15-6-2-3-7-15/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKey
PIDSZXPFGCURGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pirprofen
CAS: 31793-07-4
CID: 35935
Formula: C13H14ClNO2
MW: 251.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.71
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass251.0713064
Monoisotopic Mass251.0713064
Topological Polar Surface Area40.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity311
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
462709Pirprofen

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