ChemicalBook--->CAS DataBase List--->1369969-44-7

1369969-44-7

1369969-44-7 Structure

1369969-44-7 Structure
IdentificationBack Directory
[Name]

Rivaroxaban Impurity 27
[CAS]

1369969-44-7
[Synonyms]

Rivaroxaban Impurity 27
2-[(2S)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione
1H-Isoindole-1,3(2H)-dione, 2-[(2S)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-
Rivaroxaban Impurity 13/2-[(2S)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1H-isoindole-1,3(2H)-dione
[Molecular Formula]

C21H21N3O5
[MDL Number]

MFCD23104293
[MOL File]

1369969-44-7.mol
[Molecular Weight]

395.41
Chemical PropertiesBack Directory
[Boiling point ]

734.9±60.0 °C(Predicted)
[density ]

1.421±0.06 g/cm3(Predicted)
[storage temp. ]

-10 to -25°C
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

13.91±0.20(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical small molecule
[InChI]

1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m0/s1
[InChIKey]

CKFVSMPWXAASIQ-INIZCTEOSA-N
[SMILES]

N4(CCOCC4=O)c1ccc(cc1)NC[C@H](O)CN2C(=O)c3c(cccc3)C2=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-[(2S)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1H-isoindole-1,3(2H)-dione is an intermediate in the synthesis of ent-Rivaroxaban (R538005), the R-isomer of Rivaroxaban (R538000), which is a novel antithrombotic agent.
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