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CS-W001157 4
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(R)-2-(2-Hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)isoindoline-1,3-dione

  • CAS No. 446292-07-5

  • Cat. No. CS-M0561
  • Purity≥98%
  • MDL No.MFCD11977664

*For research and further manufacturing use only, not for direct human use.

(R)-2-(2-Hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)isoindoline-1,3-dione|CS-M0561

Structure of 446292-07-5

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General Information

  • CAS No. 446292-07-5
  • Cat. No. CS-M0561
  • Purity ≥98%
  • MDL No. MFCD11977664
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₁H₂₁N₃O₅
  • Molecular Weight 395.42
  • Synonym(s) 1H-Isoindole-1,3(2H)-dione,2-[(2R)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl
  • SMILES O=C1COCCN1C2=CC=C(NC[C@@H](O)CN3C(C4=CC=CC=C4C3=O)=O)C=C2

Synthesis

  • Route1
    • (S)-(+)-N-(2,3-Epoxypropyl)phthalimide Rivaroxaban Impurity|CS-0229109
      161596-47-0
    • In-stock
      4-(4-Aminophenyl)morpholin-3-one|CS-B0473
      438056-69-0
    • ~93%
    • In-stock
      (R)-2-(2-Hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)isoindoline-1,3-dione|CS-M0561
      446292-07-5

    References

    • Roehrig, Susanne; Straub, Alexander; Pohlmann, Jens; Lampe, Thomas; Pernerstorfer, Josef; Schlemmer, Karl-Heinz; Reinemer, Peter; Perzborn, Elisabeth Journal of Medicinal Chemistry, 2005 , vol. 48, # 19 p. 5900 - 5908
  • Route2
    • Rivaroxaban impurity 16|CS-0793276
      1252018-10-2
    • null|null
      1074-82-4
    • ~93%
    • In-stock
      (R)-2-(2-Hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)isoindoline-1,3-dione|CS-M0561
      446292-07-5

    References

    • APOTEX PHARMACHEM INC.; BODHURI, Prabhudas; WEERATUNGA, Gamini Patent: WO2012/51692 A1, 2012 ; Location in patent: Page/Page column 42-43 ;
  • Route3

    References

    • BAYER HEALTHCARE AG Patent: US2010/160301 A1, 2010 ; US 20100160301 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   99.18
  • LogP   1.1188
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   6

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