(R)-2-[[2-Oxo-3-[4-(3-oxomorpholino)phenyl]-5-oxazolidinyl]methyl]isoindoline-1,3-dione - CAS 1424944-35-3
Catalog: |
BB009377 |
Product Name: |
(R)-2-[[2-Oxo-3-[4-(3-oxomorpholino)phenyl]-5-oxazolidinyl]methyl]isoindoline-1,3-dione |
CAS: |
1424944-35-3 |
Synonyms: |
2-[[(5R)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]isoindole-1,3-dione; 2-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione |
IUPAC Name: | 2-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione |
Description: | (R)-2-[[2-Oxo-3-[4-(3-oxomorpholino)phenyl]-5-oxazolidinyl]methyl]isoindoline-1,3-dione (CAS# 1424944-35-3) is an intermediate in the synthesis of ent-Rivaroxaban (R538005), the R-isomer of Rivaroxaban (R538000), which is a novel antithrombotic agent. |
Molecular Weight: | 421.40 |
Molecular Formula: | C22H19N3O6 |
Canonical SMILES: | C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN4C(=O)C5=CC=CC=C5C4=O |
InChI: | InChI=1S/C22H19N3O6/c26-19-13-30-10-9-23(19)14-5-7-15(8-6-14)24-11-16(31-22(24)29)12-25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8,16H,9-13H2/t16-/m0/s1 |
InChI Key: | KUQNYAUTIWQAKY-INIZCTEOSA-N |
LogP: | 1.73910 |
Publication Number | Title | Priority Date |
US-2017267669-A1 | Process for the Preparation of Rivaroxaban | 20140825 |
WO-2016030669-A1 | Process for the preparation of rivaroxaban | 20140825 |
WO-2015198259-A1 | Process for the synthesis of rivaroxaban and intermediate for the production thereof | 20140626 |
WO-2015026761-A1 | A process for the preparation of rivaroxaban | 20130819 |
US-9663505-B2 | Process for the preparation of rivaroxaban | 20130325 |
Complexity: | 740 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 421.12738533 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 421.12738533 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 96.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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