2,​2'-​[[[4-​(3-​Oxo-​4-​morpholinyl)​phenyl]​imino]​bis[(2R)​-​2-​hydroxy-​3,​1-​propanediyl]​]​bis[1H-​isoindole-​1,​3(2H)​-​dione]

CAS: 1643354-27-1

Ref. TR-O858058

Product Information

• Name: 2,​2'-​[[[4-​(3-​Oxo-​4-​morpholinyl)​phenyl]​imino]​bis[(2R)​-​2-​hydroxy-​3,​1-​propanediyl]​]​bis[1H-​isoindole-​1,​3(2H)​-​dione]
• Synonyms: 1H-Isoindole-1,3(2H)-dione, 2,2'-[[[4-(3-oxo-4-morpholinyl)phenyl]imino]bis[(2R)-2-hydroxy-3,1-propanediyl]]bis- (ACI), 2,2'-[[[4-(3-Oxo-4-morpholinyl)phenyl]imino]bis[(2R)-2-hydroxy-3,1-propanediyl]]bis[1H-isoindole-1,3(2H)-dione] (ACI), 2,2'-[(2R,2'R)-[[4-(3-oxomorpholino)phenyl]azanediyl]bis(2-hydroxypropane-3,1-diyl)]bis(isoindoline-1,3-dione)
• Brand: TRC
• Description: Stability HygroscopicApplications 2,​2'-​[[[4-​(3-​Oxo-​4-​morpholinyl)​phenyl]​imino]​bis[(2R)​-​2-​hydroxy-​3,​1-​propanediyl]​]​bis[1H-​isoindole-​1,​3(2H)​-​dione] is an impurity of Rivaroxaban (R538000), a novel antithrombotic agent. A highly potent and selective, direct FXa inhibitor.References Ansell, J., et al.: Drugs, 64, 1 (2004), Eriksson, B., et al.: J. Thromb. Haemost., 3, 103 (2005), Kubitza, D., et al.: Clin. Pharmacol. Ther., 78, 412 (2005),

Chemical properties

• Molecular weight: 598.6
• Formula: C₃₂H₃₀N₄O₈
• Color/Form: Neat
• InChI: InChI=1S/C32H30N4O8/c37-22(17-35-29(40)24-5-1-2-6-25(24)30(35)41)15-33(20-9-11-21(12-10-20)34-13-14-44-19-28(34)39)16-23(38)18-36-31(42)26-7-3-4-8-27(26)32(36)43/h1-12,22-23,37-38H,13-19H2/t22-,23-/m1/s1
• InChI key: InChIKey=HIFXVLJIBLTPAK-DHIUTWEWSA-N
• SMILES: O=C1c2ccccc2C(=O)N1C[C@H](O)CN(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2=O)cc1