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Pirfenidone

CAT: 1489-P7150-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:1489-P7150-02Size:1 g
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CAS Number
53179-13-8
Purity
0.98

Chemical Information

Pirfenidone

Pirfenidone is a pyridone that is 2-pyridone substituted at positions 1 and 5 by phenyl and methyl groups respectively. An anti-inflammatory drug used for the treatment of idiopathic pulmonary fibrosis. It has a role as an antifibrotic agent, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and an antipyretic.

CAS Number53179-13-8
PubChem CID40632
IUPAC Name5-methyl-1-phenylpyridin-2-one
Molecular FormulaC12H11NO
Molecular Weight185.22
XLogP1.9
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity285
SMILES
CC1=CN(C(=O)C=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
ISWRGOKTTBVCFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pirfenidone
CAS: 53179-13-8
CID: 40632
Formula: C12H11NO
MW: 185.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.22
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass185.084063974
Monoisotopic Mass185.084063974
Topological Polar Surface Area20.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity285
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
B2288-5.1Pirfenidone

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