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5-Methyl-N-phenyl-2-1H-pyridone-d5 - 98%，98atom%D, high purity , CAS No.1020719-62-3
a deuterated metabolite of Pirfenidone
Basic Description
Synonyms
5-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one | AMR69-d5 | AMN107-d6
Specifications & Purity
≥98 atom% D,≥98%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
5-Methyl-N-phenyl-2-1H-pyridone-d5 is a deuterated metabolite of Pirfenidone, which is a new drug to treat patients with kidney disease who have diabetes.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinones
Alternative Parents
Methylpyridines Dihydropyridines Benzene and substituted derivatives Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methylpyridine - Pyridinone - Dihydropyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
5-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one
INCHI
InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3/i2D,3D,4D,5D,6D
InChIKey
ISWRGOKTTBVCFA-VIQYUKPQSA-N
Smiles
CC1=CN(C(=O)C=C1)C2=CC=CC=C2
Isomeric SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])N2C=C(C=CC2=O)C)[2H])[2H]
Alternate CAS
53179-13-8（Unlabelled ）
Molecular Weight
190.25
Reaxy-Rn
1526549
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1526549&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, Ethanol, Ethyl Acetate and Methanol
Melt Point(°C)
104-106°C (lit.)
Molecular Weight
190.250 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
190.115 Da
Monoisotopic Mass
190.115 Da
Topological Polar Surface Area
20.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
285.000
Isotope Atom Count
5
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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G2415452