1-(4-Aminophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one - CAS 1267610-26-3
Catalog: |
BB006657 |
Product Name: |
1-(4-Aminophenyl)-3-morpholino-5,6-dihydropyridin-2(1H)-one |
CAS: |
1267610-26-3 |
Synonyms: |
2(1H)-Pyridinone, 1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)- |
IUPAC Name: | 1-(4-aminophenyl)-5-morpholin-4-yl-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: | 273.34 |
Molecular Formula: | C15H19N3O2 |
Canonical SMILES: | C1CN(C(=O)C(=C1)N2CCOCC2)C3=CC=C(C=C3)N |
InChI: | InChI=1S/C15H19N3O2/c16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17/h2-6H,1,7-11,16H2 |
InChI Key: | YUGIGSPFTMLIMA-UHFFFAOYSA-N |
Boiling Point: | 491.5±45.0 °C (Predicted) |
Melting Point: | >246 °C (dec.) |
Density: | 1.277±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Off-White to Pale Beige Solid |
LogP: | 1.80570 |
Publication Number | Title | Priority Date |
CN-112142736-A | Preparation method of apixaban impurity 1 | 20201029 |
CN-112142736-B | Preparation method of apixaban impurity 1 | 20201029 |
CN-111116553-A | Preparation method of dihydropyridone derivatives | 20191210 |
WO-2018158620-A1 | Preparation of active pharmaceutical ingredients and intermediates thereof | 20170228 |
EP-3064497-A1 | Dimer impurities of apixaban and method to remove them | 20150720 |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.147726857 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.147726857 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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