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    Ralinepag

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 1187856-49-0, Apd-811, Apd811, Cqy12zjn6e, Chembl3919269, 2-((trans-4-((((4-chlorophenyl)(phenyl)carbamoyl)oxy)methyl)cyclohexyl)methoxy)acetic acid
    Molecular Formula
    C23H26ClNO5
    Molecular Weight
    431.9  g/mol
    InChI Key
    NPDKXVKJRHPDQT-UHFFFAOYSA-N
    FDA UNII
    CQY12ZJN6E
    Ralinepag has been used in trials studying the treatment of Pulmonary Arterial Hypertension.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid
    2.1.2 InChI
    InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)
    2.1.3 InChI Key
    NPDKXVKJRHPDQT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(CCC1COCC(=O)O)COC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    CQY12ZJN6E
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-((4-(((4-chlorophenyl)(phenyl)carbamoyl)oxy)methyl)cyclohexyl)methoxy)acetate

    2.3.2 Depositor-Supplied Synonyms

    1. 1187856-49-0

    2. Apd-811

    3. Apd811

    4. Cqy12zjn6e

    5. Chembl3919269

    6. 2-((trans-4-((((4-chlorophenyl)(phenyl)carbamoyl)oxy)methyl)cyclohexyl)methoxy)acetic Acid

    7. 2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic Acid

    8. Acetic Acid, 2-((trans-4-(((((4-chlorophenyl)phenylamino)carbonyl)oxy)methyl)cyclohexyl)methoxy)-

    9. Ralinepag [usan:inn]

    10. Unii-cqy12zjn6e

    11. Ralinepag [usan]

    12. Ralinepag [inn]

    13. Ralinepag (usan/inn)

    14. Ralinepag [who-dd]

    15. Schembl1118504

    16. Schembl1118506

    17. Chembl3301604

    18. Schembl12786473

    19. Schembl21232597

    20. Apd 811

    21. Bcp30843

    22. Bdbm50235385

    23. Bdbm50235386

    24. Db12462

    25. Sb16964

    26. Hy-16751

    27. Apd-811; Apd 811; Apd811

    28. Cs-0012350

    29. J3.614.088g

    30. D10725

    31. P14968

    32. An-584/43522715

    33. Q27275655

    34. ({4-[({[4-chloro(phenyl)anilino]carbonyl}oxy)methyl]cyclohexyl}methoxy)acetic Acid

    35. 2-(((1r,4r)-4-((phenyl(p-tolyl)carbamoyloxy)methyl)cyclohexyl)methoxy) Acetic Acid

    36. 2-(((1r,4r)-4-((((4-chlorophenyl)(phenyl)carbamoyl)oxy)methyl)cyclohexyl)methoxy)acetic Acid

    2.4 Create Date
    2009-10-07
    3 Chemical and Physical Properties
    Molecular Weight 431.9 g/mol
    Molecular Formula C23H26ClNO5
    XLogP35
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count9
    Exact Mass431.1499506 g/mol
    Monoisotopic Mass431.1499506 g/mol
    Topological Polar Surface Area76.1 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity538
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of pulmonary arterial hypertension