5,6-Dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-1-piperidinyl)phenyl]-2(1H)-pyridinone - CAS 545445-44-1

Catalog:	BB028716
Product Name:	5,6-Dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-1-piperidinyl)phenyl]-2(1H)-pyridinone
CAS:	545445-44-1
Synonyms:	2(1H)-Pyridinone, 5,6-dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-1-piperidinyl)phenyl]-; 3-Morpholino-1-(4-(2-oxopiperidin-1-yl)phenyl)-5,6-dihydropyridin-2(1H)-one; 3-Morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-5,6-dihydro-1H-pyridin-2-one

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Catalog	Size	Price	Stock	Quantity
BB028716	5 g	$159	In stock

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IUPAC Name:	5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one
Description:	An impurity of Apixaban, a direct factor Xa inhibitor used as an anticoagulant for the prevention of venous thromboembolism and stroke in atrial fibrillation.
Molecular Weight:	355.43
Molecular Formula:	C20H25N3O3
Canonical SMILES:	C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CCC=C(C3=O)N4CCOCC4
InChI:	InChI=1S/C20H25N3O3/c24-19-5-1-2-10-22(19)16-6-8-17(9-7-16)23-11-3-4-18(20(23)25)21-12-14-26-15-13-21/h4,6-9H,1-3,5,10-15H2
InChI Key:	SCVWQFDPLBFZAP-UHFFFAOYSA-N
Boiling Point:	625.0±55.0°C at 760 mmHg
Melting Point:	>199°C (dec.)
Purity:	≥95%
Density:	1.267±0.06 g/cm3
Solubility:	Soluble in Chloroform (Slightly), Methanol
Appearance:	Pale Beige to Light Beige Solid
Storage:	Store at -20°C under inert atmosphere
MDL:	MFCD19440881
LogP:	2.22420

Publication Number	Title	Priority Date
CA-3100469-A1	Liquid hand dishwashing detergent composition	20201124
CA-3096644-A1	Laundry detergent composition	20201021
CA-3081510-A1	Laundry detergent composition	20200528
CN-111018833-A	Apixaban intermediate and preparation method thereof	20191213
CN-111018833-B	Apixaban intermediate and preparation method thereof	20191213

Complexity:	563
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	355.18959167
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	355.18959167
Rotatable Bond Count:	3
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6

5,6-Dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-1-piperidinyl)phenyl]-2(1H)-pyridinone - CAS 545445-44-1

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Technical Data

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